Product Name

  • Name

    N-(2-Chloroethyl)-N-nitrosoacetamide

  • EINECS
  • CAS No. 64057-51-8
  • Article Data2
  • CAS DataBase
  • Density 1.3g/cm3
  • Solubility
  • Melting Point
  • Formula C4H7ClN2O2
  • Boiling Point 193.5°C at 760 mmHg
  • Molecular Weight 150.565
  • Flash Point 70.8°C
  • Transport Information
  • Appearance
  • Safety Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also N-NITROSO COMPOUNDS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 64057-51-8 (N-(2-Chloroethyl)-N-nitrosoacetamide)
  • Hazard Symbols
  • Synonyms N-(2-chloroethyl)-N-nitroso-acetamide;N-(beta-Chloroethyl)-N-nitrosoacetamide;ACETAMIDE, N-(2-CHLOROETHYL)-N-NITROSO-;
  • PSA 49.74000
  • LogP 0.75510

N-(beta-Chloroethyl)-N-nitrosoacetamide Chemical Properties

Molecule structure of N-(beta-Chloroethyl)-N-nitrosoacetamide (CAS NO.64057-51-8):

IUPAC Name: N-(2-Chloroethyl)-N-nitrosoacetamide 
Molecular Weight: 150.56358 g/mol
Molecular Formula: C4H7ClN2O2 
Density: 1.3 g/cm3 
Boiling Point: 193.5 °C at 760 mmHg 
Flash Point: 70.8 °C
Index of Refraction: 1.503
Molar Refractivity: 34.1 cm3
Molar Volume: 115.1 cm3
Polarizability: 13.52×10-24 cm3
Surface Tension: 43.1 dyne/cm 
Enthalpy of Vaporization: 42.97 kJ/mol
Vapour Pressure: 0.464 mmHg at 25 °C
XLogP3: 0.6
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 150.019605
MonoIsotopic Mass: 150.019605
Topological Polar Surface Area: 49.7
Heavy Atom Count: 9
Complexity: 117
Canonical SMILES: CC(=O)N(CCCl)N=O
InChI: InChI=1S/C4H7ClN2O2/c1-4(8)7(6-9)3-2-5/h2-3H2,1H3
InChIKey: HPVMVBSBKXPUMG-UHFFFAOYSA-N

N-(beta-Chloroethyl)-N-nitrosoacetamide Toxicity Data With Reference

1.    

mmo-sat 1 nmol/plate

     CNREA8    Cancer Research. 43 (1983),175.
2.    

mma-sat 2 nmol/plate

     CNREA8    Cancer Research. 39 (1979),1328.
3.    

pic-esc 2 mg/L

     CNREA8    Cancer Research. 39 (1979),1328.
4.    

dnd-mus:leu 500 nmol/L

     CNREA8    Cancer Research. 43 (1983),175.

N-(beta-Chloroethyl)-N-nitrosoacetamide Safety Profile

Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also N-NITROSO COMPOUNDS.

N-(beta-Chloroethyl)-N-nitrosoacetamide Specification

 N-(beta-Chloroethyl)-N-nitrosoacetamide (CAS NO.64057-51-8) is also named as 4-04-00-03387 (Beilstein Handbook Reference) ; BRN 1766112 ; N-(2-Chloroethyl)-N-nitrosoacetamide ; Acetamide, N-(2-chloroethyl)-N-nitroso- . N-(beta-Chloroethyl)-N-nitrosoacetamide (CAS NO.64057-51-8) is highly toxic. It is flammable. It will produce toxic nitrogen oxide and chloride fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep N-(beta-Chloroethyl)-N-nitrosoacetamide (CAS NO.64057-51-8) separate from raw materials of food.

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