Product Name

  • Name

    Methanol, (nitrosophenylamino)-, actate (ester) (9CI)

  • EINECS
  • CAS No. 81943-37-5
  • Density 1.17g/cm3
  • Solubility
  • Melting Point
  • Formula C9H11N2O3
  • Boiling Point 333.5°Cat760mmHg
  • Molecular Weight 195.22
  • Flash Point 155.5°C
  • Transport Information
  • Appearance
  • Safety Poison by subcutaneous route. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 81943-37-5 (Methanol, (nitrosophenylamino)-, actate (ester) (9CI))
  • Hazard Symbols
  • Synonyms acetoxymethylphenylnitrosamine;
  • PSA 58.97000
  • LogP 1.69500

Acetoxymethylphenylnitrosamine Chemical Properties

The Molecular Structure of Acetoxymethylphenylnitrosamine (CAS NO.81943-37-5):
Molecular Formula: C9H10N2O3
Molecular Weight: 194.187300 g/mol
IUPAC: (N-nitrosoanilino)methyl acetate 
Density: 1.17 g/cm3
Flash Point: 155.5 °C
Enthalpy of Vaporization: 57.64 kJ/mol
Boiling Point: 333.5 °C at 760 mmHg
Vapour Pressure: 0.000136 mmHg at 25°C
Nominal Mass: 194 Da
Average Mass: 194.1873 Da
Monoisotopic Mass: 194.069142 Da 
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 1.7
ACD/LogD (pH 7.4): 1.7
ACD/BCF (pH 5.5): 11.61
ACD/BCF (pH 7.4): 11.61
ACD/KOC (pH 5.5): 201.24
ACD/KOC (pH 7.4): 201.24 
Polar Surface Area: 58.97Å2
Index of Refraction: 1.536
Molar Refractivity: 51.38 cm3
Molar Volume: 164.6 cm3
Surface Tension: 43.9 dyne/cm
InChI: InChI=1/C9H10N2O3/c1-8(12)14-7-11(10-13)9-5-3-2-4-6-9/h2-6H,7H2,1H3
Smiles: C(C)(=O)OCN(c1ccccc1)N=O

Acetoxymethylphenylnitrosamine Toxicity Data With Reference

1.    

mmo-sat 64,400 pmol/plate

     CALEDQ    Cancer Letters (Shannon, Ireland). 15 (1982),289.
2.    

scu-ham LD50:117 mg/kg

     CALEDQ    Cancer Letters (Shannon, Ireland). 15 (1982),289.

Acetoxymethylphenylnitrosamine Safety Profile

Poison by subcutaneous route. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.

Acetoxymethylphenylnitrosamine Specification

 Acetoxymethylphenylnitrosamine (CAS NO.81943-37-5) is also called as CCRIS 5460 ; Acetic acid, (N-nitrosoanilino)methyl ester ; Methanol, (nitrosophenylamino)-, acetate (ester) ; Methanol, (nitrosophenylamino)-, actate (ester) (9CI) .

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