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Substance Name: 6-Nitroquinoline
RN: 613-50-3
UNII: 7033583N3J
InChIKey: SMHPLBXIVNQFBA-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C9-H6-N2-O2

Molecular Weight

  • 174.1584
 
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Names and Synonyms

Name of Substance

  • 6-Nitroquinoline

Synonyms

  • 5-20-07-00326 (Beilstein Handbook Reference)
  • 6-Nitroquinoline
  • AI3-08863
  • BRN 0136138
  • CCRIS 456
  • EINECS 210-346-6
  • NSC 4141
  • UNII-7033583N3J

Systematic Names

  • 6-Nitroquinoline
  • Quinoline, 6-nitro-

Registry Numbers

CAS Registry Number

  • 613-50-3

FDA UNII

  • 7033583N3J

System Generated Number

  • 0000613503

Structure Descriptors

InChI

1S/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H

InChIKey

SMHPLBXIVNQFBA-UHFFFAOYSA-N

Smiles

c12c(ccc(c1)[N+]([O-])=O)nccc2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 153.5 deg C   EXP
log P (octanol-water) 1.84 (none)   EXP
Water Solubility 668 mg/L 25 EST
Vapor Pressure 1.38E-04 mm Hg 25 EST
Henry's Law Constant 2.72E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.80E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.