Basic information
- Name:
1,3-Dimethylurea
- CAS No.:
96-31-1
- Molecular Structure:
- Formula:
- C3H8N2O
- Molecular Weight:
- 88.11
- Deleted CAS:
- 475470-59-8
- Synonyms:
- Urea,1,3-dimethyl- (8CI);N,N'-Dimethylurea;NSC 14910;NSC 24823;Symmetric dimethylurea;sym-Dimethylurea;
- EINECS:
- 202-498-7
- Density:
- 0.949 g/cm3
- Melting Point:
- 101-104 °C(lit.)
- Boiling Point:
- 269 °C at 760 mmHg
- Flash Point:
- 124.3 °C
- Solubility:
- 765 g/L (21.5 °C) in water
- Appearance:
- white flake
- Risk Codes:
- 62-63-68
- Safety Description:
- 22-24/25 Details
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Chemistry
Molecular Structure of 1,3-Dimethylurea (CAS NO.96-31-1):
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IUPAC Name: 1,3-dimethylurea
Empirical Formula: C3H8N2O
Molecular Weight: 88.1084
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 0
Polar Surface Area: 23.55 Å2
Index of Refraction: 1.413
Molar Refractivity: 23.16 cm3
Molar Volume: 92.8 cm3
Surface Tension: 27.4 dyne/cm
Density: 0.949 g/cm3
Flash Point: 124.3 °C
Enthalpy of Vaporization: 50.71 kJ/mol
Boiling Point: 269 °C at 760 mmHg
Vapour Pressure: 0.00744 mmHg at 25°C
EINECS: 202-498-7
Melting point: 101-104 °C(lit.)
Storage temp: Store at RT.
Water Solubility: 765 g/L (21.5 oC)
BRN: 1740672
InChI
InChI=1/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
Smiles
C(NC)(NC)=O
EINECS: 202-498-7
Product Categories: Functional Materials; Organic Nonlinear Optical Materials
Toxicity Data With Reference
| 1. | mmo-clr 400 mmol/L | FOMIAZ Folia Microbiologica (Prague). (Academia, Vodickova 40, CS-112 29 Prague 1, 20 (1975),452. | ||
| 2. | dni-hmn:lym 40 mmol/L | PNASA6 Proceedings of the National Academy of Sciences of the United States of America. 79 (1982),1171. | ||
| 3. | ipr-mus LDLo:4962 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 54 (1935),188. |
Consensus Reports
1,3-Dimethylurea (CAS NO.96-31-1) is reported in EPA TSCA Inventory.
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.
Risk Statements: 62-63-68
R62:Risk of impaired fertility.
R63:Possible risk of harm to the unborn child.
R68:Possible risk of irreversible effects.
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 1
RTECS: YS9868000
F: 10-21
HS Code: 29241900
Specification
1,3-Dimethylurea , with CAS number of 96-31-1, can be called N,N'-Dimethylharnstoff ; N,N'-Dimethylurea ; Symmetric dimethylurea ; sym-Dimethylurea . It is a white crystal, 1,3-Dimethylurea (CAS NO.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).
