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14100-52-8

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Basic Information
CAS No.: 14100-52-8
Name: 3-CHLORO-4-NITROQUINOLINE-1-OXIDE
Molecular Structure:
Molecular Structure of 14100-52-8 (3-CHLORO-4-NITROQUINOLINE-1-OXIDE)
Formula: C9H5 Cl N2 O3
Molecular Weight: 224.603
Synonyms: 3-Chloro-4-nitroquinoline1-oxide
Density: 1.56g/cm3
Boiling Point: 418.4°Cat760mmHg
Flash Point: 206.9°C
Safety: Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
PSA: 71.28000
LogP: 3.35310
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Chemistry

IUPAC Name: 3-chloro-4-nitro-1-oxidoquinolin-1-ium
Synonyms of 3-Chloro-4-nitroquinoline 1-oxide (CAS NO.14100-52-8): BRN 1248726 ; Quinoline, 3-chloro-4-nitro-, 1-oxide
CAS NO: 14100-52-8
Molecular Formula of 3-Chloro-4-nitroquinoline 1-oxide (CAS NO.14100-52-8): C9H5ClN2O3
Molecular Weight of 3-Chloro-4-nitroquinoline 1-oxide (CAS NO.14100-52-8): 224.6006
Molecular Structure:

H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 69.93 Å2
Index of Refraction: 1.677
Molar Refractivity: 53.98 cm3
Molar Volume: 143.2 cm3
Surface Tension: 64.7 dyne/cm
Density: 1.56 g/cm3
Flash Point: 206.9 °C
Enthalpy of Vaporization: 64.59 kJ/mol
Boiling Point: 418.4 °C at 760 mmHg
Vapour Pressure: 7.98E-07 mmHg at 25°C

Toxicity Data With Reference

Test type: TDLo - Lowest published toxic dose
Route of exposure: Subcutaneous
Test species: Rodent - mouse
Dose / time: 347 mg/kg/I
Toxicity: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
Reference: CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 17,544,1969

Safety Profile

Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl− and NOx.