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| CAS No.: | 14094-43-0 |
|---|---|
| Name: | 5-METHYL-4-NITROQUINOLINE-1-OXIDE |
| Molecular Structure: | |
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| Formula: | C10H8 N2 O3 |
| Molecular Weight: | 204.185 |
| Synonyms: | 5-Methyl-4-nitroquinoline1-oxide; 5-Methyl-4-nitroquinoline N-oxide |
| Density: | 1.36g/cm3 |
| Boiling Point: | 397.5°Cat760mmHg |
| Flash Point: | 194.2°C |
| Safety: | Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 71.28000 |
| LogP: | 3.00810 |
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Chemistry
IUPAC Name: 5-Methyl-4-nitro-1-oxidoquinolin-1-ium
Following is the structure of 5-Methyl-4-nitroquinoline 1-oxide (CAS NO.14094-43-0):
Empirical Formula: C10H8N2O3
Molecular Weight: 204.1821 g/mol
Surface Tension: 56.3 dyne/cm
Density: 1.36 g/cm3
Flash Point: 194.2 °C
Enthalpy of Vaporization: 62.26 kJ/mol
Boiling Point: 397.5 °C at 760 mmHg
Vapour Pressure: 3.63E-06 mmHg at 25 °C
Index of Refraction of 5-Methyl-4-nitroquinoline 1-oxide (CAS NO.14094-43-0): 1.641
Canonical SMILES: CC1=C2C(=CC=C1)[N+](=CC=C2[N+](=O)[O-])[O-]
InChI: InChI=1S/C10H8N2O3/c1-7-3-2-4-8-10(7)9(12(14)15)5-6-11(8)13/h2-6H,1H3
InChIKey: WPQVMRHYELDDMA-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | mmo-sat 800 µmol/L | CPBTAL Chemical and Pharmaceutical Bulletin. 31 (1983),959. | ||
| 2. | dns-ham:oth 500 nmol/L | NATUAS Nature. 229 (1971),416. |
Consensus Reports
EPA Genetic Toxicology Program.
Safety Profile
Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition, 5-Methyl-4-nitroquinoline 1-oxide (CAS NO.14094-43-0) emits toxic fumes of NOx.
Specification
5-Methyl-4-nitroquinoline 1-oxide , its cas register number is 14094-43-0. It also can be called Quinoline, 5-methyl-4-nitro-, 1-oxide . Its classification code are Mutation data and Tumor data.