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Basic Information
CAS No.: 59960-30-4
Name: NITROSOCHLOROETHYLDIMETHYLUREA
Article Data: 2
Molecular Structure:
Molecular Structure of 59960-30-4 (NITROSOCHLOROETHYLDIMETHYLUREA )
Formula: C5H10ClN3O2
Molecular Weight: 179.63
Synonyms: 1-(2-chloroethyl)-3-(pyridin-2-yl)urea;ClCH2CH2NHC(O)NHPy;N3N3-dimethyl-N1-(2-chloroethyl)-N1-nitrosourea;1-(2-chloroethyl)-3,3-dimethyl-1-nitrosourea;N-(2-Chloroethyl)-N'-(2-pyridinyl)urea;3,3-dimethyl-1-(2-chloroethyl)-1-nitrosourea;1-(2-Chloroethyl)-3-(2-pyridyl)urea;Urea,1-(2-chloroethyl)-3-(2-pyridyl);N-Nitroso-1,1-dimethyl-3(2-chloraethyl)harnstoff;
Density: 1.27g/cm3
Boiling Point: 222.4°Cat760mmHg
Flash Point: 88.3°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.
PSA: 52.98000
LogP: 0.89020
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Chemistry

Empirical Formula of Nitrosochloroethyldimethylurea (CAS NO.59960-30-4): C5H10ClN3O2
Molecular Weight: 179.6048 
Index of Refraction: 1.512
Density: 1.27 g/cm3
Flash Point: 88.3 °C
Enthalpy of Vaporization: 45.88 kJ/mol
Boiling Point: 222.4 °C at 760 mmHg
Vapour Pressure: 0.102 mmHg at 25 °C
Structure of Nitrosochloroethyldimethylurea (CAS NO.59960-30-4):
                           
IUPAC Name: 1-(2-Chloroethyl)-3,3-dimethyl-1-nitrosourea
Canonical SMILES: CN(C)C(=O)N(CCCl)N=O
InChI: InChI=1S/C5H10ClN3O2/c1-8(2)5(10)9(7-11)4-3-6/h3-4H2,1-2H3
InChIKey: NEQGOOOOLVHDDF-UHFFFAOYSA-N

Safety Profile

Questionable carcinogen with experimental tumorigenic data. Many N-nitroso compounds are carcinogens. When heated to decomposition Nitrosochloroethyldimethylurea (CAS NO.59960-30-4) emits very toxic fumes of Cl− and NOx. See also N-NITROSO COMPOUNDS.

Specification

 Nitrosochloroethyldimethylurea , its cas register number is 59960-30-4. It also can be called 1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea ; BRN 2255038 ; and Urea, 1-(2-chloroethyl)-3,3-dimethyl-1-nitroso- .