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Substance Name: Benzo(f)quinoline
RN: 85-02-9
UNII: 525476DTML
InChIKey: HCAUQPZEWLULFJ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C13-H9-N

Molecular Weight

  • 179.221
 
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Names and Synonyms

Name of Substance

  • Benzo(f)quinoline

Synonyms

  • 1-Azaphenanthrene
  • 5,6-Benzo(f)quinoline
  • 5,6-Benzoquinoline
  • 5-20-08-00220 (Beilstein Handbook Reference)
  • Benzo(f)quinoline
  • beta-Naphthoquinoline
  • BRN 0120261
  • CCRIS 800
  • EINECS 201-582-0
  • NSC 9850
  • UNII-525476DTML

Systematic Name

  • Benzo(f)quinoline

Registry Numbers

CAS Registry Number

  • 85-02-9

FDA UNII

  • 525476DTML

System Generated Number

  • 0000085029

Structure Descriptors

InChI

1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H

InChIKey

HCAUQPZEWLULFJ-UHFFFAOYSA-N

Smiles

c12c3c(ccc1cccc2)nccc3

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 94 deg C   EXP
Boiling Point 352 deg C   EXP
pKa Dissociation Constant 4.21 (none) 20 EXP
log P (octanol-water) 3.43 (none)   EXP
Water Solubility 78.7 mg/L 25 EXP
Vapor Pressure 5.60E-05 mm Hg 25 EXP
Henry's Law Constant 1.74E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.00E-12 cm3/molecule-sec 25 EST

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