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| CAS No.: | 58139-34-7 |
|---|---|
| Name: | 3,5-dimethylphenyl methyl(nitroso)carbamate |
| Molecular Structure: | |
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| Formula: | C10H12N2O3 |
| Molecular Weight: | 208.24 |
| Density: | 1.16g/cm3 |
| Boiling Point: | 290°Cat760mmHg |
| Flash Point: | 129.2°C |
| Safety: | Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS and CARBAMATES. |
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Chemistry
Molecule structure of Carbamic acid, methylnitroso-, 3,5-xylyl ester (CAS NO.58139-34-7):
IUPAC Name: (3,5-Dimethylphenyl) N-methyl-N-nitrosocarbamate
Molecular Weight: 208.21388 g/mol
Molecular Formula: C10H12N2O3
Density: 1.16 g/cm3
Boiling Point: 290 °C at 760 mmHg
Flash Point: 129.2 °C
Index of Refraction: 1.533
Molar Refractivity: 55.62 cm3
Molar Volume: 179 cm3
Polarizability: 22.05×10-24 cm3
Surface Tension: 39 dyne/cm
Enthalpy of Vaporization: 52.94 kJ/mol
Vapour Pressure: 0.00212 mmHg at 25 °C
XLogP3-AA: 2.1
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Exact Mass: 208.084792
MonoIsotopic Mass: 208.084792
Topological Polar Surface Area: 59
Heavy Atom Count: 15
Complexity: 235
Canonical SMILES: CC1=CC(=CC(=C1)OC(=O)N(C)N=O)C
InChI: InChI=1S/C10H12N2O3/c1-7-4-8(2)6-9(5-7)15-10(13)12(3)11-14/h4-6H,1-3H3
InChIKey of Carbamic acid, methylnitroso-, 3,5-xylyl ester (CAS NO.58139-34-7): LNHCDFPBNISRKG-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | mmo-esc 5 µg/plate | BECTA6 Bulletin of Environmental Contamination and Toxicology. 14 (1975),389. | ||
| 2. | mrc-bcs 500 ng/plate | BECTA6 Bulletin of Environmental Contamination and Toxicology. 14 (1975),389. |
Safety Profile
Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS and CARBAMATES.
Specification
Carbamic acid, methylnitroso-, 3,5-xylyl ester (CAS NO.58139-34-7) is also named as 3,5-Dimethylphenyl methylnitrosocarbamate ; 3,5-Xylyl N-methylcarbamate, nitrosated ; CCRIS 1223 ; Maqbarl, nitrosated ; Maqbarl, nitrosated [Japanese] ; N-Nitroso-3,5-xylyl-N-methylcarbamate .