1,3-Dimethylurea

1,3-Dimethylurea Basic information
Description
Product Name:1,3-Dimethylurea
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
CAS:96-31-1
MF:C3H8N2O
MW:88.11
EINECS:202-498-7
Product Categories:Chemical Biology;Peptide Chemistry;Bioactive Small Molecules;Building Blocks;Carbonyl Compounds;Cell Biology;Functional Materials;Organic Nonlinear Optical Materials;Chemical Synthesis;DIG-DY;Organic Building Blocks;Ureas;Standard Boc Amino Acids;Amino Acid Derivatives;bc0001;96-31-1
Mol File:96-31-1.mol
1,3-Dimethylurea Structure
1,3-Dimethylurea Chemical Properties
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)
Fp 157 °C
storage temp. Store below +30°C.
solubility H2O: 0.1 g/mL, clear, colorless
pka14.57±0.46(Predicted)
form Crystals
color White
PH9.0-9.5 (100g/l, H2O, 20℃)
Water Solubility 765 g/L (21.5 ºC)
BRN 1740672
InChIKeyMGJKQDOBUOMPEZ-UHFFFAOYSA-N
LogP-0.783 at 25℃
CAS DataBase Reference96-31-1(CAS DataBase Reference)
NIST Chemistry ReferenceUrea, N,N'-dimethyl-(96-31-1)
EPA Substance Registry System1,3-Dimethylurea (96-31-1)
Safety Information
Risk Statements 62-63-68
Safety Statements 22-24/25
WGK Germany 1
RTECS YS9868000
10-21
Autoignition Temperature400 °C
TSCA Yes
HS Code 29241900
Hazardous Substances Data96-31-1(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: 4000 mg/kg
MSDS Information
ProviderLanguage
1,3-Dimethylurea English
SigmaAldrich English
ACROS English
ALFA English
1,3-Dimethylurea Usage And Synthesis
Description1, 3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis. It is a colorless crystalline powder with little toxicity. It 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. In the Swiss Product Register there are 38 products containing 1,3-dimethylurea, among them 17 products intended for consumer use. Product types are e.g. paints and cleaning agents. The content of 1,3-dimethylurea in consumer products is up to 10 % (Swiss Product Register, 2003). Use in cosmetics has been proposed, but there is no information available as to its actual use in such applications.
Chemical Propertieswhite crystals
UsesN,N′-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.

DefinitionChEBI: A member of the class of ureas that is urea substituted by methyl groups at positions 1 and 3.
General DescriptionColorless crystals.
Air & Water ReactionsWater soluble.
Reactivity Profile1,3-Dimethylurea is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. 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).
Health HazardACUTE/CHRONIC HAZARDS: When heated to decomposition 1,3-Dimethylurea emits toxic fumes.
Fire HazardFlash point data for 1,3-Dimethylurea are not available; 1,3-Dimethylurea is probably combustible.
Safety ProfileModerately toxic by intraperitoneal route. Experimental teratogenic and reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx
Purification MethodsCrystallise the urea from acetone/diethyl ether by cooling in an ice bath. Also crystallise it from EtOH and dry it at 50o/5mm for 24hours [Bloemendahl & Somsen J Am Chem Soc 107 3426 1985]. [Beilstein 4 IV 207.]
Methylurea Metformin Dimethicone Dimethyl sulfone N,N-Dimethylformamide Urea formaldehyde Poly(dimethylsiloxane) (Hydroxymethyl)urea 2-Dimethylaminoethanol 1,3-Dimethylurea Dimethyl fumarate N,N-Dimethylaniline Dibutyl phthalate Dimethyl sulfoxide 1,8-Naphthalic anhydride Dimethylamine N,N-Dimethylacetamide Dichlorodimethylsilane

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