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| Name |
Acetoxymethylphenylnitrosamine |
EINECS | N/A |
| CAS No. | 81943-37-5 | Density | 1.17g/cm3 |
| PSA | 58.97000 | LogP | 1.69500 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H11N2O3 | Boiling Point | 333.5°Cat760mmHg |
| Molecular Weight | 195.22 | Flash Point | 155.5°C |
| Transport Information | N/A | Appearance | N/A |
| 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 | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
acetoxymethylphenylnitrosamine; |
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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