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62178-60-3

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Basic Information
CAS No.: 62178-60-3
Name: NITROSOLANDRIN
Molecular Structure:
Molecular Structure of 62178-60-3 (NITROSOLANDRIN)
Formula: C11H14N2O3
Molecular Weight: 222.27
Synonyms: Nitrosotrimethylphenyl-N-methylcarbamate;Carbamic acid,methylnitroso-,3,4,5-trimethylphenyl ester;Landrin,nitroso derivative;Nitroso-landrin;Carbamic acid,methylnitroso-,3,4,5-trimethylphenyl ester (9CI);N-Nitrosolandrin;Carbamic acid,N-methyl-N-nitroso-,trimethylphenyl ester;
Density: 1.14g/cm3
Boiling Point: 315.6°Cat760mmHg
Flash Point: 144.7°C
Safety: Questionable carcinogen with experimental carcinogenic data. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS, CARBAMATES, and ESTERS.
PSA: 58.97000
LogP: 2.72380
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Chemistry

Empirical Formula of Nitrosotrimethylphenyl-N-methylcarbamate (CAS NO.62178-60-3): C11H14N2O3
Molecular Weight: 222.2405 
Index of Refraction: 1.53
Density: 1.14 g/cm3
Flash Point: 144.7 °C
Enthalpy of Vaporization: 55.68 kJ/mol
Boiling Point: 315.6 °C at 760 mmHg
Vapour Pressure: 0.000434 mmHg at 25 °C
Structure of Nitrosotrimethylphenyl-N-methylcarbamate (CAS NO.62178-60-3):
                      
IUPAC Name: (2,3,4-Trimethylphenyl) N-methyl-N-nitrosocarbamate
Canonical SMILES: CC1=C(C(=C(C=C1)OC(=O)N(C)N=O)C)C
InChI: InChI=1S/C11H14N2O3/c1-7-5-6-10(9(3)8(7)2)16-11(14)13(4)12-15/h5-6H,1-4H3
InChIKey: BOMIVRYJPJDQRT-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 1 µg/plate

     MUREAV    Mutation Research. 68 (1979),1.
2.    

mma-sat 111 ng/plate

     MUREAV    Mutation Research. 56 (1977),1.
3.    

dnd-hmn:fbr 10 µmol/L

     MUREAV    Mutation Research. 44 (1977),1.

Safety Profile

Questionable carcinogen with experimental carcinogenic data. Human mutation data reported. When heated to decomposition Nitrosotrimethylphenyl-N-methylcarbamate (CAS NO.62178-60-3) emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS, CARBAMATES, and ESTERS.

Specification

 Nitrosotrimethylphenyl-N-methylcarbamate , its cas register number is 62178-60-3. It also can be called Carbamic acid, N-methyl-N-nitroso-, trimethylphenyl ester ; N-Nitrosolandrin ; and Landrin, nitroso derivative .