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| CAS No.: | 69113-00-4 |
|---|---|
| Name: | 1-(2-chloroethyl)-3,3-diethyl-1-nitrosourea |
| Molecular Structure: | |
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| Formula: | C7H14ClN3O2 |
| Molecular Weight: | 207.69 |
| Density: | 1.19g/cm3 |
| Boiling Point: | 259.7°Cat760mmHg |
| Flash Point: | 110.8°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 N-NITROSO COMPOUNDS. |
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Chemistry
Empirical Formula of Nitrosochloroethyldiethylurea (CAS NO.69113-00-4): C7H14ClN3O2
Molecular Weight: 207.658
Index of Refraction: 1.507
Density: 1.19 g/cm3
Flash Point: 110.8 °C
Enthalpy of Vaporization: 49.73 kJ/mol
Boiling Point: 259.7 °C at 760 mmHg
Vapour Pressure: 0.0128 mmHg at 25 °C
Structure of Nitrosochloroethyldiethylurea (CAS NO.69113-00-4):
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IUPAC Name: 1-(2-Chloroethyl)-3,3-diethyl-1-nitrosourea
Canonical SMILES: CCN(CC)C(=O)N(CCCl)N=O
InChI: InChI=1S/C7H14ClN3O2/c1-3-10(4-2)7(12)11(9-13)6-5-8/h3-6H2,1-2H3
InChIKey: AJGOQLJASXBANN-UHFFFAOYSA-N
Safety Profile
Questionable carcinogen with experimental tumorigenic data. Many N-nitroso compounds are carcinogens. When heated to decomposition Nitrosochloroethyldiethylurea (CAS NO.69113-00-4) emits very toxic fumes of Cl− and NOx. See also N-NITROSO COMPOUNDS.
Specification
Nitrosochloroethyldiethylurea , its cas register number is 69113-00-4. It also can be called Urea, 1-(2-chloroethyl)-3,3-diethyl-1-nitroso- ; and 1-Nitroso-1-(2-chloroethyl)-3,3-diethylurea .