1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.
1,3-Dimethylurea is a colorless solid.


CAS Number: 96-31-1
EC Number: 202-498-7
MDL number: MFCD00008286
Linear Formula: (CH3NH)2CO
Chemical formula: C3H8N2O



SYNONYMS:
1,3-Dimethylurea Factory, N,N'-Dimethylurea Factory, 1,3-Dimethylurea COA TDS MSDS, n,n’-dimethylharnstoff , n,n’-dimethyl-ure , N,N'-Dimethylharnstoff, Symmetric dimethylurea, symmetricdimethylurea, 1,3-Dimethylurea, sym-dimethylurea, N,N-Dimethylurea, n,n'-dimethyl-ure, N,N'-dimethylurea, Dimethyl Urea 1,3, symmetricdimethylurea, symmetric dimethylurea, n,n'-dimethylharnstoff, Symmetric dimethylurea, N,N'-Dimethylharnstoff, N,N-dimethylurea (sym.), 1,3-Dimethylurea Factory, N,N'-Dimethylurea Factory, 1,3-Dimethylurea COA TDS MSDS, 1,3-DIMETHYLUREA, N,N'-Dimethylurea, 96-31-1, sym-Dimethylurea, Urea, N,N'-dimethyl-, Symmetric dimethylurea, Urea, 1,3-dimethyl-, 1,3-Dimethyl urea, N,N'-Dimethylharnstoff, dimethyl urea, NSC 14910, BRN 1740672, AI3-24386, MFCD00008286, WAM6DR9I4X, DTXSID5025156, CHEBI:80472, Urea,3-dimethyl-, Urea,N'-dimethyl-, NSC-14910, 1,3-Dimethylurea, 98%, WLN: 1MVM1, CCRIS 2509, HSDB 3423, EINECS 202-498-7, UNII-WAM6DR9I4X, Dimethylharnstoff, 1.3-Dimethylurea, N,N-Dimethyl-Urea, 1,3 dimethyl urea, N,N'-dimethyl urea, N,N'-dimethylurea, 1,1'-Dimethylurea, 1,3-Dimethylcarbamide, 3k3g, bmse000248, EC 202-498-7, UREA,1,3-DIMETHYL, (CH3NH)2CO, DIMETHYL UREA [INCI], DIMETHYLUREA, N,N'-, N,N'-Dimethylurea, ~98%, DTXCID605156, CHEMBL1234380, 1,3-DIMETHYLUREA [HSDB], NSC14910, NSC24823, Tox21_200794, 1,3-Dimethylurea;N,N'-Dimethylurea, BBL011513, NSC-24823, STL146629, AKOS000120912, CS-W013749, PB47928, CAS-96-31-1, NCGC00248834-01, NCGC00258348-01, SY004507, DB-225923, N,N inverted exclamation mark-Dimethylurea, N,N inverted exclamation marka-Dimethylurea, A4569, D0289, NS00005754, EN300-20740, P17517, ethyl 5-oxo-2,3-diphenyl-cyclopentanecarboxylate, A845576, N,N'-Dimethylurea, (sym.), >=99% (from N), Q419740, W-100145, N,N'-Dimethylurea, PESTANAL(R), analytical standard, F0001-2292, N,N'-Dimethylurea, (sym.), >=95.0% (HPLC), technical, InChI=1/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6, DMU, 1,3-Dimethylurea, N,N′-Dimethylurea, Urea,N,N’-dimethyl,UNII-, AM6DR9I4X, MeNHNCONHMe, sym-Dimethylurea,N,N`-Dimethylurea, Expand DMU, N,N'-Dimethylharnstoff [German], N,N'-Dimethylurea, Symmetric dimethylurea, sym-Dimethylurea, Urea, 1,3-dimethyl-, Urea, N,N'-dimethyl-, N,N′-Dimethylurea, DMU, 1,3-Dimethylurea, 1,3-DIMETHYLUREA, N,N'-Dimethylurea, 96-31-1, sym-Dimethylurea, Urea, N,N'-dimethyl-, Symmetric dimethylurea, Urea, 1,3-dimethyl-, N,N'-Dimethylharnstoff, 1,3-Dimethyl urea, NSC 14910, BRN 1740672, AI3-24386, MFCD00008286, WAM6DR9I4X, DMU, DTXSID5025156, CHEBI:80472, Urea,3-dimethyl-, Urea,N'-dimethyl-, NSC-14910, 1,3-Dimethylurea, 98%, WLN: 1MVM1, CCRIS 2509, HSDB 3423, EINECS 202-498-7, UNII-WAM6DR9I4X, Dimethylharnstoff, 1.3-Dimethylurea, N,N-Dimethyl-Urea, 1,3 dimethyl urea, N,N'-dimethyl urea, 1,1'-Dimethylurea, 1,3-Dimethylcarbamide, bmse000248, EC 202-498-7, UREA,1,3-DIMETHYL, (CH3NH)2CO, DIMETHYL UREA [INCI], DIMETHYLUREA, N,N'-, N,N'-Dimethylurea, ~98%, DTXCID605156, CHEMBL1234380, 1,3-DIMETHYLUREA [HSDB], NSC14910, NSC24823, Tox21_200794, 1,3-Dimethylurea;N,N'-Dimethylurea, NSC-24823, AKOS000120912, CS-W013749, PB47928, CAS-96-31-1, NCGC00248834-01, NCGC00258348-01, SY004507, N,N inverted exclamation mark -Dimethylurea, A4569, D0289, FT-0606700, EN300-20740, P17517, ethyl 5-oxo-2,3-diphenyl cyclopentanecarboxylate, A845576, N,N'-Dimethylurea, (sym.), >=99% (from N), Q419740, W-100145, N,N'-Dimethylurea, PESTANAL(R), analytical standard, F0001-2292, N,N'-Dimethylurea, (sym.), >=95.0% (HPLC), technical, InChI=1/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6), Urea, 1,3-dimethyl-, sym-Dimethylurea, N,N'-Dimethylurea, Symmetric dimethylurea, 1,3-Dimethylurea, (CH3NH)2CO, 1,1'-Dimethylurea, DMU, N,N' Dimethylharnstoff, NSC 14910, (CH3NH)2CO, 1,1'-Dimethylurea, 1,3-dimethylurea, DMU, N,N'-Dimethylharnstoff, N,N'-dimethylurea, NSC 14910, Symmetric dimethylurea, sym-Dimethylurea, urea, 1,3-dimethyl-, syM,N,N'-DIMETHYLUREA, (CH3NH)2CO, AKOS B029718, 1.3-DiMethyl u, 1,3-dimethyl-ure, SYM-DIMETHYLUREA, 1,3-DIMETHYLUREA, n,n’-dimethyl-ure,Dimethylcarbamide, N,N'-Dimethyl urea, 1,3-Dimethylurea, N,N’-dimethyl-Urea, 1,3-dimethyl-ure, n,n’-dimethylharnstoff, n,n’-dimethylharnstoff (german), n,n’-dimethylurea, sym-dimethylurea, Urea, 1,3-dimethyl-, sym-Dimethylurea, N,N'-Dimethylurea, Symmetric dimethylurea, 1,3-Dimethylurea, (CH3NH)2CO, 1,1'-Dimethylurea, DMU, N,N'-Dimethylharnstoff, NSC 14910, Urea, N,N′-dimethyl-, Urea, 1,3-dimethyl-, N,N′-Dimethylurea, 1,3-Dimethylurea, Symmetric dimethylurea, sym-Dimethylurea, NSC 14910, NSC 24823, Urea,1,3-dimethyl- (8CI), N,N'-Dimethylurea, NSC 14910, NSC 24823, Symmetric dimethylurea, sym-Dimethylurea, Urea,N,N’-dimethyl, UNII-WAM6DR9I4X, MeNHNCONHMe, sym-Dimethylurea, N,N`-Dimethylurea, syM, N,N'-DIMETHYLUREA, (CH3NH)2CO, AKOS B029718, 1.3-DiMethyl u, 1,3-dimethyl-ure, SYM-DIMETHYLUREA, 1,3-DIMETHYLUREA, n,n’-dimethyl-ure, Dimethylcarbamide, n,n’-dimethylurea, sym-dimethylurea, urea, n,n’-dimethyl, dimethylurea, symmetric dimethylurea, urea, 1,3-dimethyl, n,n’-dimethylharnstoff, 1,3-dimethyl urea, n,n’-dimethylharnstoff german, unii-wam6dr9i4x



1,3-Dimethylurea is a urea derivative used as an intermediate in organic synthesis.
1,3-Dimethylurea appears as colorless crystals and is a member of the class of ureas that is urea substituted by methyl groups at positions 1 and 3 .
1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.


1,3-Dimethylurea is a solid in the form of white crystals with a faint ammonia-like odor.
1,3-Dimethylurea is soluble in water.
1,3-Dimethylurea is a colorless powder.


1,3-Dimethylurea is a colorless crystalline powder with little toxicity.
1,3-Dimethylurea is a white crystals.
1,3-Dimethylurea is a member of the class of ureas that is urea substituted by methyl groups at positions 1 and 3.


1,3-Dimethylurea is a colorless crystals.
1,3-Dimethylurea is water soluble.
1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.


1,3-Dimethylurea is a colorless crystalline powder with little toxicity.
1,3-Dimethylurea is a member of the class of ureas that is urea substituted by methyl groups at positions 1 and 3.
1,3-Dimethylurea is a colorless, volatile liquid with a penetrating odor.


1,3-Dimethylurea is soluble in water and alcohols and has a melting point of -3°C.
1,3-Dimethylurea is a solid in the form of white crystals with a faint ammonia-like odor.
1,3-Dimethylurea is soluble in water.


1,3-Dimethylurea acts as a radical scavenger that protects isolated pancreatic islets from the effects of alloxan and dihydroxyfumarate exposure.
Methyl amine and 1,3-Dimethylurea are hydrolysis products of methyl isocyanate.
1,3-Dimethylurea is a colorless crystalline powder with little toxicity.


1,3-Dimethylurea appears as colorless crystals.
1,3-Dimethylurea is a member of the class of ureas that is urea substituted by methyl groups at positions 1 and 3.
1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.


1,3-Dimethylurea is a colorless crystalline powder with little toxicity.
1,3-Dimethylurea is registered under the REACH Regulation and is manufactured in and / or imported to the European Economic Area, at ≥ 1 to < 10 tonnes per annum.


1,3-Dimethylurea is a colorless crystalline powder with little toxicity.
1,3-Dimethylurea is a colorless solid.
1,3-Dimethylurea is an organic compound that has been shown to bind to the carbonyl group of proteins and act as a hydrogen-bond donor.


The nitrogen atoms are coordinated to form two pyramidal structures with the hydrogen bonding between the nitrogen atoms.
This coordination geometry leads to a molecule that is planar and the frequency shift of IR spectroscopy data confirms this structure.
The reaction mechanism for dimethyl urea begins with an attack by the oxygen atom on the carbon atom of tetramethylurea forming an intermediate called trimethylamine, which then reacts with trifluoroacetic acid (TFA) leading to the formation of dimethyl urea.



USES and APPLICATIONS of 1,3-DIMETHYLUREA:
1,3-Dimethylurea is used for synthesis of caffeine, pharmachemicals, textile aids, herbicides and other.
In the textile processing industry 1,3-dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles.
1,3-Dimethylurea is a colorless crystalline powder with little toxicity.


1,3-Dimethylurea is also used for synthesis of caffeine, pharmachemicals, textile aids, herbicides and other.
In the textile processing industry 1,3-Dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles.
1,3-Dimethylurea is used in the following products: pH regulators and water treatment products and laboratory chemicals.


1,3-Dimethylurea is used in the following areas: health services and scientific research and development.
1,3-Dimethylurea is used for the manufacture of: chemicals.
1, 3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.


1,3-Dimethylurea is a colorless crystalline powder with little toxicity.
In medicine, 1,3-Dimethylurea is used to synthesize theophylline, caffeine and nifedipine hydrochloride, etc.
1,3-Dimethylurea is used by professional workers (widespread uses), in formulation or re-packing and at industrial sites.


1,3-Dimethylurea is used in the following products: pH regulators and water treatment products and laboratory chemicals.
1,3-Dimethylurea is used in the following areas: health services and scientific research and development.
Use in cosmetics of 1,3-Dimethylurea has been proposed, but there is no information available as to its actual use in such applications.


1,3-Dimethylurea is used for synthesis of caffeine, theophylline, pharmachemicals, textile aids, herbicides and others.
1,3-Dimethylurea is used in the textile processing industry.
1,3-Dimethylurea is also used for synthesis of caffeine, pharmachemicals, textile aids, herbicides and other.


1,3-Dimethylurea is used as an intermediate in organic synthesis. Ungraded products supplied by Spectrum are indicative of a grade suitable for general industrial use or research purposes and typically are not suitable for human consumption or therapeutic use.
1,3-Dimethylurea is used as an intermediate in the synthesis of theophylline and caffeine, and also used in the production of fiber treatment agents


1,3-Dimethylurea is used in manufacturing synthetic caffeine, resins and drugs.
1,3-Dimethylurea is used as a catalyst for condensation of methylamine with urea.
1,3-Dimethylurea is used as a pharmaceutical drug to treat hyperammonemia.


1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.
1,3-Dimethylurea is used in pharmaceutical manufacturing.
1,3-Dimethylurea is used as an intermediate to make caffeine, pharmachemicals, textile aids, herbicides, paints, and cleaning products.


1,3-Dimethylurea is used as textile auxiliaries to produce formaldehyde-free anti-wrinkle finishing products.
1,3-Dimethylurea is used in cosmetics as an emollient.
1,3-Dimethylurea is used in medicine and can produce a variety of raw materials.


1,3-Dimethylurea is used in chemical industry, it can synthesize a variety of chemical products.
1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.
1,3-Dimethylurea is used for synthesis of caffeine, theophylline, pharmachemicals, textile aids, herbicides and others.


1,3-Dimethylurea is used in the textile processing industry.
Pharmaceutical intermediates, 1,3-Dimethylurea is also used in the production of fiber treatment agents.
In the textile processing industry 1,3-dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles.


1,3-Dimethylurea is used for synthesis of caffeine, pharmachemicals, textile aids, herbicides and other.
In the textile processing industry 1,3-Dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles.


1,3-Dimethylurea is used for synthesis of caffeine, theophylline, pharmachemicals, textile aids, herbicides and others.
In the textile processing industry 1,3-Dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles.
The estimated world production of 1,3-Dimethylurea is estimated to be less than 25,000 tons.


Other release to the environment of 1,3-Dimethylurea is likely to occur from: indoor use (e.g. machine wash liquids/detergents, automotive care products, paints and coating or adhesives, fragrances and air fresheners).
Release to the environment of 1,3-Dimethylurea can occur from industrial use: formulation of mixtures.


Release to the environment of 1,3-Dimethylurea can occur from industrial use: as an intermediate step in further manufacturing of another substance (use of intermediates), in processing aids at industrial sites and as processing aid.
1,3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis.


In the Swiss Product Register there are 38 products containing 1,3-Dimethylurea, among them 17 products intended for consumer use.
Product types of 1,3-Dimethylurea are e.g. paints and cleaning agents.
The content of 1,3-Dimethylurea in consumer products is up to 10 %.


-1,3-Dimethylurea can be used as a starting material to synthesize N,N′-dimethyl-6-amino uracil.
In combination with β-cyclodextrin derivatives, to form low melting mixtures (LMMs), which can be used as solvents for hydroformylation and Tsuji-Trost reactions.
To synthesize N,N′-disubstituted-4-aryl-3,4-dihydropyrimidinones via Biginelli condensation under solvent-free conditions.



CHEMICAL REACTIONS ANALYSIS OF 1,3-DIMETHYLUREA:
The reaction of 1,3-Dimethylurea with formaldehyde has been studied in detail using quantitative on-line NMR spectroscopy .
The system undergoes only four reactions and, unlike urea–formaldehyde, does not form polymers .



PHYSICAL AND CHEMICAL PROPERTIES ANALYSIS OF 1,3-DIMETHYLUREA:
1,3-Dimethylurea is a colorless crystalline powder with little toxicity .
The effects of concentration variation of 1,3-DMU in distilled water on dielectric and electrical properties have been discussed to gain information about the self-aggregative nature of 1,3-Dimethylurea and dissociation process in aqueous solutions



PHYSICAL AND CHEMICAL PROPERTIES OF 1,3-DIMETHYLUREA:
Character: gray-white, thin, thin, crystalline.
melting point 101~104 ℃
boiling point 268~270 ℃
relative density 1.142
solubility in water, ethanol, acetone, benzene and ethyl acetate, insoluble in ether and gasoline.



SYNTHESIS ANALYSIS OF 1,3-DIMETHYLUREA:
A practically simple, mild, and efficient method has been developed for the synthesis of N-substituted ureas by nucleophilic addition of amines to potassium isocyanate in water without an organic co-solvent .



PRODUCTION METHOD OF 1,3-DIMETHYLUREA:
Industry uses molten urea and monomethyl amine action to make. First, the area into the melting tank, heated to 130-135C to melt 1,3-Dimethylurea, transferred to the reaction tower has been heated to 110-120C, continue to raise the temperature to 150-175 ℃, began to pass the purified monomethyl amine gas, until the monomethyl amine all through, that is, the reaction is completed, the creation of even dimethyl urea finished products.



REACTIVITY PROFILE OF 1,3-DIMETHYLUREA:
1,3-Dimethylurea is an amide.
Amides are very weak bases (weaker than water).
Imides are less basic yet and in fact react with strong bases to form salts.
That is, they can react as acids.
Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile.
The combustion of these compounds generates mixed oxides of nitrogen (NOx).



PURIFICATION METHODS OF 1,3-DIMETHYLUREA:
Crystallise the urea from acetone/diethyl ether by cooling in an ice bath.
Also crystallise 1,3-Dimethylurea from EtOH and dry it at 50o/5mm for 24hours



FEATURES OF 1,3-DIMETHYLUREA:
*Good stability
1,3-Dimethylurea has good stability and are suitable for various synthetic chemical reactions, ensuring the stability and reliability of our customers' production processes.



MOLECULAR STRUCTURE ANALYSIS OF 1,3-DIMETHYLUREA:
1,3-Dimethylurea forms needle-shaped crystals .
The Raman spectra of DMU crystal have been measured, and the density function theory with a B3LYP/6-311G* * basis set has been used to optimize the geometry structure and calculate the vibrational frequency of gas phase DMU .



PHYSICAL and CHEMICAL PROPERTIES of 1,3-DIMETHYLUREA:
Formula: C₃H₈N₂O
MW: 88.11 g/mol
Boiling Pt: 268 °C (1013 hPa)
Melting Pt: 96 °C
Density: 1.142 g/cm³ (20 °C)
Storage Temperature: Ambient
MDL Number: MFCD00008286
CAS Number: 96-31-1
EINECS: 202-498-7
SYNONYMS: N,N′-Dimethylurea
CAS NUMBER: 96-31-1
MOLECULAR FORMULA:C3H8N2O
MOLECULAR WEIGHT: 88.11

BEILSTEIN REGISTRY NUMBER: 1740672
EC NUMBER: 202-498-7
MDL NUMBER: MFCD00008286
Melting point :101-104 °C(lit.)
Boiling point :268-270 °C(lit.)
Density :1.142
vapor pressure :6 hPa (115 °C)
refractive index :1.4715 (estimate)
Flash point :157 °C
storage temp. :Store below +30°C.
solubility :H2O: 0.1 g/mL, clear, colorless
pka :14.57±0.46(Predicted)
form :Crystals

color :White
PH :9.0-9.5 (100g/l, H2O, 20℃)
Water Solubility :765 g/L (21.5 ºC)
BRN :1740672
InChIKey :MGJKQDOBUOMPEZ-UHFFFAOYSA-N
LogP :-0.783 at 25℃
CAS DataBase Reference :96-31-1(CAS DataBase Reference)
NIST Chemistry Reference :Urea, N,N'-dimethyl-(96-31-1)
EPA Substance Registry System :1,3-Dimethylurea (96-31-1)
Auto Ignition: 400 °C (DIN 51794) (Lit.)
Beilstein Registry Number: 1740672
Boiling Point: 262 °C (Lit.)
CAS #: 96-31-1
Density: 1.14 g/cm³ at 20 °C (Lit.)
EC Number: 202-498-7

Flash Point: > 157 °C (Lit.)
Melting Point: 100 - 110 °C
Molecular Formula: C3H8N2O
Molecular Weight: 88.11
Pack Size: 100 g
Personal Protective Equipment: Eyeshields, Gloves, Respirator filter
pH: 9.0 - 9.5 (100 g/L, H2O, 20 °C)(Lit.)
Purity: ≥98%
RTECS Number: YS9868000
Solubility: Soluble in ethanol (200 mg in 4 mL).
Physical State: Solid
Storage: Store at room temperature
Boiling Point: ~384.0 °C at 760 mmHg (Predicted)
Density: ~1.2 g/cm³ (Predicted)
Refractive Index: n20D 1.63 (Predicted)

Chemical formula: C3H8N2O
Molar mass: 88.110 g•mol−1
Appearance: Colorless, waxy crystals
Odor: Odorless
Density: 1.142 g mL−1
Melting point: 104.4 °C; 219.8 °F; 377.5 K
Boiling point: 269.1 °C; 516.3 °F; 542.2 K
Solubility in water: 765 g L−1
Magnetic susceptibility (χ): -55.1•10−6 cm3/mol
Thermochemistry:
Std enthalpy of formation (ΔfH⦵298): −312.1–−312.1 kJ mol−1
Std enthalpy of combustion (ΔcH⦵298): −2.0145–−2.0089 MJ mol−1

Additional Properties:
Molecular Weight: 88.11 g/mol
XLogP3: -0.5
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 0
Exact Mass: 88.063662883 g/mol
Monoisotopic Mass: 88.063662883 g/mol
Topological Polar Surface Area: 41.1Ų
Heavy Atom Count: 6
Formal Charge: 0
Complexity: 46.8

Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
Appearance: Colorless crystals (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 108.00 °C. @ 760.00 mm Hg
Boiling Point: 269.00 °C. @ 760.00 mm Hg

Vapor Pressure: 0.547000 mmHg (est)
Flash Point: 116.00 °F. TCC (46.60 °C.) (est)
logP (o/w): -0.490
Soluble in water: 1.615e+004 mg/L @ 25 °C (est)
Chemical formula: C3H8N2O
Molar mass: 88.110 g•mol−1
Appearance: Colorless, waxy crystals
Odor: Odorless
Density: 1.142 g mL−1
Melting point: 104.4 °C; 219.8 °F; 377.5 K
Boiling point: 269.1 °C; 516.3 °F; 542.2 K

Solubility in water: 765 g L−1
Magnetic susceptibility (χ): -55.1•10−6 cm3/mol
Thermochemistry:
Std enthalpy of formation (ΔfH⦵298): −312.1–−312.1 kJ mol−1
Std enthalpy of combustion (ΔcH⦵298): −2.0145–−2.0089 MJ mol−1
Molecular Weight: 88.11 g/mol
XLogP3: -0.5
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 0
Exact Mass: 88.063662883 g/mol
Monoisotopic Mass: 88.063662883 g/mol

Topological Polar Surface Area: 41.1Ų
Heavy Atom Count: 6
Formal Charge: 0
Complexity: 46.8
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Physical state: flakes
Color: colorless
Odor: amine-like
Melting point/freezing point:
Melting point/range: 103 - 106 °C
Initial boiling point and boiling range: 268 - 270 °C - lit.
Flammability (solid, gas): No data available
Upper/lower flammability or explosive limits: No data available
Flash point: 157 °C - closed cup
Autoignition temperature: No data available
Decomposition temperature: No data available
pH: 9,0 - 9,5

Viscosity
Viscosity, kinematic: No data available
Viscosity, dynamic: No data available
Water solubility: 765 g/l at 21,5 °C - soluble
Partition coefficient:
n-octanol/water: log Pow: -0,783
Vapor pressure: No data available
Density: 1,14 g/cm3 at 20 °C
Relative density: No data available
Relative vapor density: No data available
Particle characteristics: No data available

Explosive properties: No data available
Oxidizing properties: No data available
Other safety information:
Bulk density 0,50 g/l
Molecular Formula: CH3NHCONHCH3
CAS No: 96-31-1
EINECS: 202-498-7
Molecular Weight: 88.11
Appearance: White Crystals
Assay: ≥ 95%
Freezing point: 103'C Min
Volatile Content: ≤ 0.2%
Melting point: 104'C
CAS number: 96-31-1
EC number: 202-498-7
Hill Formula: C₃H₈N₂O

Chemical formula: CH₃NHCONHCH₃
Molar Mass: 88.11 g/mol
HS Code: 2924 19 00
Boiling point: 268 - 270 °C (1013 hPa)
Density: 1.14 g/cm3 (20 °C)
Flash point: 157 °C DIN 51758
Ignition temperature: 400 °C
Melting Point: 101 - 104 °C
pH value: 9.0 - 9.5 (H₂O)
Vapor pressure: <0.1 hPa (20 °C)
Bulk density: 500 kg/m3
Solubility: 765 g/l

Chemical Name: N,N’-dimethylurea
CAS No.: 96-31-1
Molecular Formula: C3H8N2O
Molecular Weight: 88.10840
PSA: 41.13000
LogP: 0.32700
Appearance & Physical State: white flake
Density: 1.142
Boiling Point: 268-270ºC
Melting Point: 101-105ºC
Flash Point: 157ºC
Refractive Index: 1.413
Water Solubility: 765 g/L (21.5 ºC)

Stability: Stable under normal temperatures and pressures.
Storage Condition: Store at RT.
Melting point: 101-104 °C(lit.)
Boiling point: 268-270 °C(lit.)
Density: 1.142
vapor pressure: 6 hPa (115 °C)
refractive index: 1.4715 (estimate)
Flash point: 157 °C
storage temp.: Store below +30°C.
solubility: H2O: 0.1 g/mL, clear, colorless

pka: 14.57±0.46(Predicted)
form: Crystals
color: White
PH: 9.0-9.5 (100g/l, H2O, 20℃)
Water Solubility: 765 g/L (21.5 ºC)
BRN: 1740672
InChIKey: MGJKQDOBUOMPEZ-UHFFFAOYSA-N
LogP: -0.783 at 25℃
CAS DataBase Reference: 96-31-1(CAS DataBase Reference)
FDA UNII: WAM6DR9I4X
NIST Chemistry Reference: Urea, N,N'-dimethyl-(96-31-1)
EPA Substance Registry System: 1,3-Dimethylurea (96-31-1)

CAS No.: 96-31-1
Molecular Formula: C3H8N2O
InChIKeys: InChIKey=MGJKQDOBUOMPEZ-UHFFFAOYSA-N
Molecular Weight: 88.11
Exact Mass: 88.11
EC Number: 202-498-7
UNII: WAM6DR9I4X
ICSC Number: 1745
NSC Number: 24823|14910
DSSTox ID: DTXSID5025156
Color/Form: RHOMBIC BIPYRAMIDAL CRYSTALS FROM CHLOROFORM-ETHER|COLORLESS PRISMS
HScode: 2924199090

PSA: 41.1
XLogP3: -0.5
Appearance: N,n'-dimethylurea appears as colorless crystals. (NTP, 1992)
Density: 1.142 g/cm3
Melting Point: 108 °C
Boiling Point: 268-270 °C
Flash Point: 154°C
Refractive Index: 1.414
Water Solubility: H2O: 765 g/L (21.5 ºC)
Vapor Pressure: Vapour pressure, Pa at 20°C: 0.042
Air and Water Reactions: Water soluble.
Reactive Group: Amides and Imides

Autoignition Temperature: 400 °C
Molecular Formula / Molecular Weight: C3H8N2O = 88.11
Physical State (20 deg.C): Solid
CAS RN: 96-31-1
Reaxys Registry Number: 1740672
PubChem Substance ID: 87566985
SDBS (AIST Spectral DB): 2161
MDL Number: MFCD00008286
Appearance: colorless crystals (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 108.00 °C. @ 760.00 mm Hg
Boiling Point: 269.00 °C. @ 760.00 mm Hg

Vapor Pressure: 0.547000 mmHg (est)
Flash Point: 116.00 °F. TCC ( 46.60 °C. ) (est)
logP (o/w): -0.490
Soluble in: water, 1.615e+004 mg/L @ 25 °C (est)
Synonyms: N,N'-Dimethylurea
Molecular Formula: C3H8N2O
Molecular Weight: 88.11
CAS Number: 96-31-1
EINECS: 202-498-7
Appearance: White powder
Density: 1.142
Melting Point: 101-105 ºC
Stability: Stable under ordinary conditions.
Appearance: White powder
PH value: 6.5-8.0

Assay: ≥97.5%
Water: ≤0.5
Density: 0.9±0.1 g/cm3
Boiling Point: 269.0±0.0 °C at 760 mmHg
Melting Point: 101-104 °C(lit.)
Molecular Formula: C3H8N2O
Molecular Weight: 88.108
Flash Point: 124.3±18.9 °C
Exact Mass: 88.063660
PSA: 41.13000
LogP: -1.01
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Index of Refraction: 1.414
Storage condition: Store at RT.
Water Solubility: 765 g/L (21.5 ºC)
Synonyms: 1,3-dimethylurea
Molecular Weight: 88.11
Molecular Formula: C3H8N2O

Canonical SMILES: CNC(=O)NC
InChI: InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
InChIKey: MGJKQDOBUOMPEZ-UHFFFAOYSA-N
Boiling Point: 268-270 ℃
Melting Point: 101-105 ℃
Flash Point: 157ºC
Purity: > 98.0 % (GC)
Density: 1.142 g/cm3
Appearance: Colorless crystals.
Storage: Store at RT.
HS Code: 29241900
Log P: 0.32700
MDL: MFCD00008286
PSA: 41.13
Refractive Index: 1.413

Risk Statements: R62
RTECS: YS9868000
Safety Statements: S24/25
Stability: Stable under normal temperatures and pressures.
SYNONYMS: N,N′-Dimethylurea
CAS NUMBER: 96-31-1
MOLECULAR WEIGHT: 88.11
BEILSTEIN REGISTRY NUMBER: 1740672
EC NUMBER: 202-498-7
MDL NUMBER: MFCD00008286
Auto Ignition: 400 °C (DIN 51794) (Lit.)
Base Catalog Number: 15784780
Beilstein Registry Number: 1740672
Boiling Point: 262 °C (Lit.)

CAS #: 96-31-1
Density: 1.14 g/cm3 at 20 °C (Lit.)
EC Number: 202-498-7
Flash Point: > 157 °C (Lit.)
Melting Point: 100 - 110 °C
Molecular Formula: C3H8N2O
Molecular Weight: 88.11
pH: 9.0 - 9.5 (100 g/L, H2O, 20 °C) (Lit.)
Purity: ≥98%
RTECS Number: YS9868000
Solubility: Soluble in ethanol (200 mg in 4 mL).
Melting Point: 105°C
Boiling Point: 270°C

Color: White
Formula Weight: 88.11
Physical Form: Crystal-Powder at 20°C
Chemical Name or Material: 1,3-Dimethylurea
CAS: 96-31-1
EINECS: 202-498-7
InChI: InChI=1/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
InChIKey: MGJKQDOBUOMPEZ-UHFFFAOYSA-N
Molecular Formula: C3H8N2O
Molar Mass: 88.11
Density: 1.142
Melting Point: 101-104°C (lit.)

Boiling Point: 268-270°C (lit.)
Flash Point: 157 °C
Water Solubility: 765 g/L (21.5 ºC)
Solubility: Soluble in water, ethanol, acetone, benzene, and ethyl acetate, etc.,
insoluble in ether and gasoline.
Vapor Pressure: 6 hPa (115 °C)
Appearance: Crystallization
Color: White
BRN: 1740672
pKa: 14.57±0.46 (Predicted)
pH: 9.0-9.5 (100g/l, H2O, 20℃)
Storage Condition: Store below +30°C.
Refractive Index: 1.4715 (estimate)
MDL: MFCD00008286



FIRST AID MEASURES of 1,3-DIMETHYLUREA:
-Description of first-aid measures:
*General advice:
Consult a physician.
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
If breathed in, move person into fresh air.
Consult a physician.
*In case of skin contact:
Wash off with soap and plenty of water.
Consult a physician.
*In case of eye contact:
Flush eyes with water as a precaution.
*If swallowed:
Never give anything by mouth to an unconscious person.
Rinse mouth with water.
Consult a physician.
-Indication of any immediate medical attention and special treatment needed:
No data available



ACCIDENTAL RELEASE MEASURES of 1,3-DIMETHYLUREA:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Pick up and arrange disposal without creating dust.
Sweep up and shovel.
Keep in suitable, closed containers for disposal.



FIRE FIGHTING MEASURES of 1,3-DIMETHYLUREA:
-Extinguishing media:
*Suitable extinguishing media:
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
-Further information:
No data available



EXPOSURE CONTROLS/PERSONAL PROTECTION of 1,3-DIMETHYLUREA:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection.
*Skin protection:
Handle with gloves.
Wash and dry hands.
Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Splash contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
*Body Protection:
Choose body protection
*Respiratory protection:
Respiratory protection is not required.
-Control of environmental exposure:
Do not let product enter drains.



HANDLING and STORAGE of 1,3-DIMETHYLUREA:
-Precautions for safe handling:
*Hygiene measures:
Handle in accordance with good industrial hygiene and safety practice.
Wash hands before breaks and at the end of workday.
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Store in cool place.
Keep container tightly closed in a dry and well-ventilated place.
*Storage class:
Storage class (TRGS 510): 13:
Non Combustible Solids



STABILITY and REACTIVITY of 1,3-DIMETHYLUREA:
-Reactivity:
No data available
-Chemical stability:
Stable under recommended storage conditions.
-Possibility of hazardous reactions:
No data available
-Conditions to avoid:
No data available