96-31-1

Name	1,3-Dimethylurea
CAS	96-31-1
EINECS(EC#)	202-498-7
Molecular Formula	C3H8N2O
MDL Number	MFCD00008286
Molecular Weight	88.11
MOL File	96-31-1.mol

Chemical Properties

Appearance	white crystals
Melting point	101-104 °C(lit.)
Boiling point	268-270 °C(lit.)
bulk density	500kg/m3
density	1.142
vapor pressure	6 hPa (115 °C)
refractive index	1.4715 (estimate)
Fp	157 °C
storage temp.	Store at RT.
solubility	H₂O: 0.1 g/mL, clear, colorless
form	Crystals
pka	14.57±0.46(Predicted)
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	96-31-1(EPA Substance)

Safety Data

Risk Statements	R62:Possible risk of impaired fertility. R63:Possible risk of harm to the unborn child. R68:Possible risk of irreversible effects. less more
Safety Statements	S22:Do not breathe dust . S24/25:Avoid contact with skin and eyes . less more
WGK Germany	1
RTECS	YS9868000
F	10-21
Autoignition Temperature	400 °C
TSCA	Yes
HS Code	29241900
Safety Profile	Moderately toxic by intraperitoneal route. Experimental teratogenic and reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx less more
Hazardous Substances Data	96-31-1(Hazardous Substances Data)
Toxicity	LD50 orally in Rabbit: 4000 mg/kg less more

Raw materials And Preparation Products

Hazard Information

General Description

Colorless crystals.

Reactivity Profile

N,N'-DIMETHYLUREA(96-31-1) 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).

Air & Water Reactions

Water soluble.

Health Hazard

ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes.

Fire Hazard

Flash point data for this chemical are not available; N,N'-DIMETHYLUREA is probably combustible.

Chemical Properties

white crystals

Uses

N,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.

Definition

ChEBI: A member of the class of ureas that is urea substituted by methyl groups at positions 1 and 3.

reaction suitability

reagent type: ligand
reaction type: C-H Activation

Purification Methods

Crystallise 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.]

Material Safety Data Sheet(MSDS)

Questions And Answer

Spectrum Detail

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