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| CAS No.: | 69112-99-8 |
|---|---|
| Name: | NITROSOMETHYLBIS(CHLOROETHYL)UREA |
| Molecular Structure: | |
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| Formula: | C6H11Cl2N3O2 |
| Molecular Weight: | 228.10 |
| Density: | 1.35g/cm3 |
| Boiling Point: | 287.2°Cat760mmHg |
| Flash Point: | 127.5°C |
| Safety: | Questionable carcinogen with experimental tumorigenic data. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also NITROSO COMPOUNDS. |
| PSA: | 52.98000 |
| LogP: | 1.49920 |
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Chemistry
Empirical Formula of Nitrosomethylbis(chloroethyl)urea (CAS NO.69112-99-8): C6H11Cl2N3O2
Molecular Weight: 228.0764
Index of Refraction: 1.53
Density: 1.35 g/cm3
Flash Point: 127.5 °C
Enthalpy of Vaporization: 52.63 kJ/mol
Boiling Point: 287.2 °C at 760 mmHg
Vapour Pressure: 0.00252 mmHg at 25 °C
Structure of Nitrosomethylbis(chloroethyl)urea (CAS NO.69112-99-8):
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IUPAC Name: 1,1-Bis(2-chloroethyl)-3-methyl-3-nitrosourea
Canonical SMILES: CN(C(=O)N(CCCl)CCCl)N=O
InChI: InChI=1S/C6H11Cl2N3O2/c1-10(9-13)6(12)11(4-2-7)5-3-8/h2-5H2,1H3
InChIKey: VHQMHXLTDUXHJT-UHFFFAOYSA-N
Safety Profile
Questionable carcinogen with experimental tumorigenic data. Many N-nitroso compounds are carcinogens. When heated to decomposition Nitrosomethylbis(chloroethyl)urea (CAS NO.69112-99-8) emits very toxic fumes of Cl− and NOx. See also NITROSO COMPOUNDS.
Specification
Nitrosomethylbis(chloroethyl)urea , its cas register number is 69112-99-8. It also can be called Urea, 1,1-bis(2-chloroethyl)-3-methyl-3-nitroso- ; 1-Nitroso-1-methyl-3,3-bis-(2-chloroethyl)urea ; and 1,1-Bis-(2-chloroethyl)-3-methyl-3-nitrosourea .