Product Name: 6-Butyl-4-nitroquinoline 1-oxide (CAS NO.21070-32-6)
Molecular Formula: C13H14N2O3
Molecular Weight: 246.29g/mol
Mol File: 21070-32-6.mol
Boiling point: 419.9 °C at 760 mmHg
Flash Point: 207.8 °C
Density: 1.24g/cm3
Surface Tension: 49.7 dyne/cm
Enthalpy of Vaporization: 64.76 kJ/mol
Vapour Pressure: 7.14E-07 mmHg at 25°C
SMILES: [O-][N+](=O)c2c1c(ccc(c1)CCCC)[n+]([O-])cc2
InChI: InChI=1/C13H14N2O3/c1-2-3-4-10-5-6-12-11(9-10)13(15(17)18)7-8-14(12)16/h5-9H,2-4H2,1H3
InChIKey: ZXRKSBGQDZHLKU-UHFFFAOYAP
Std. InChI: InChI=1S/C13H14N2O3/c1-2-3-4-10-5-6-12-11(9-10)13(15(17)18)7-8-14(12)16/h5-9H,2-4H2,1H3
Std. InChIKey: ZXRKSBGQDZHLKU-UHFFFAOYSA-N
1. | dns-ham:oth 4 µmol/L | NATUAS Nature. 229 (1971),416. | ||
2. | dnd-mus:fbr 100 µmol/L | CNREA8 Cancer Research. 35 (1975),521. |
EPA Genetic Toxicology Program.
Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
6-Butyl-4-nitroquinoline 1-oxide ,its CAS NO. is 21070-32-6,the synonyms is BRN 1249953 ; CCRIS 841 ; Quinoline, 6-butyl-4-nitro-, 1-oxide .
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