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69113-01-5

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Basic Information
CAS No.: 69113-01-5
Name: N-NITROSOTRIS-(2-CHLOROETHYL)UREA
Molecular Structure:
Molecular Structure of 69113-01-5 (N-NITROSOTRIS-(2-CHLOROETHYL)UREA)
Formula: C7H12 Cl3 N3 O2
Molecular Weight: 276.57
Synonyms: Urea,tris(2-chloroethyl)nitroso- (9CI)
Density: 1.42g/cm3
Boiling Point: 345.6°C at 760 mmHg
Flash Point: 162.8°C
Safety: Questionable carcinogen with experimental tumorigenic data. Many nitroso compounds are carcinogens. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also NITROSO COMPOUNDS.
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Chemistry

Empirical Formula: C7H12Cl3N3O2
Molecular Weight: 276.5481 
Index of Refraction: 1.543
Density: 1.42 g/cm3
Flash Point: 162.8 °C
Enthalpy of Vaporization: 58.97 kJ/mol
Boiling Point: 345.6 °C at 760 mmHg
Vapour Pressure: 6.09E-05 mmHg at 25 °C
Appearance: Yellow oil
Structure of Nitrosotris(chloroethyl)urea (CAS NO.69113-01-5):
                 
IUPAC Name: 1,1,3-Tris(2-chloroethyl)-3-nitrosourea
Canonical SMILES: C(CCl)N(CCCl)C(=O)N(CCCl)N=O
InChI: InChI=1S/C7H12Cl3N3O2/c8-1-4-12(5-2-9)7(14)13(11-15)6-3-10/h1-6H2
InChIKey: KIRNCVMRJCUYPS-UHFFFAOYSA-N
Product Category of Nitrosotris(chloroethyl)urea (CAS NO.69113-01-5): Detergents;Mutagenesis Research Chemicals

Safety Profile

Questionable carcinogen with experimental tumorigenic data. Many nitroso compounds are carcinogens. When heated to decomposition Nitrosotris(chloroethyl)urea (CAS NO.69113-01-5) emits very toxic fumes of Cl− and NOx. See also NITROSO COMPOUNDS.

Specification

 Nitrosotris(chloroethyl)urea , its cas register number is 69113-01-5. It also can be called Urea, 1-nitroso-1,3,3-tris(2-chloroethyl)- ; 1-Nitroso-1,3,3-tris-(2-chloroethyl)urea ; and 3-Nitroso-1,1,3-tris(chloroethyl)urea .