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Substance Name: 7,8-Bnzoquinoline
RN: 230-27-3
UNII: 8KWJ7WT6Y7
InChIKey: WZJYKHNJTSNBHV-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

  • 7,8-Bnzoquinoline
  • Benzo(h)quinoline

Synonyms

  • 4-Azaphenanthrene
  • 5-20-08-00215 (Beilstein Handbook Reference)
  • 7,8-Benoz(h)quinoline
  • 7,8-Benzoquinoline
  • alpha-Benzoquinoline
  • alpha-Naphthoquinoline
  • Benzo(h)quinoline
  • BRN 0120249
  • CCRIS 801
  • EINECS 205-937-0
  • NSC 16033
  • UNII-8KWJ7WT6Y7

Systematic Name

  • Benzo(h)quinoline

Registry Numbers

CAS Registry Number

  • 230-27-3

FDA UNII

  • 8KWJ7WT6Y7

System Generated Number

  • 0000230273

Structure Descriptors

InChI

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

InChIKey

WZJYKHNJTSNBHV-UHFFFAOYSA-N

Smiles

c12c3c(ccc1cccc2)cccn3

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 52 deg C   EXP
Boiling Point 339 deg C   EXP
pKa Dissociation Constant 4.21 (none) 20 EXP
log P (octanol-water) 3.43 (none)   EXP
Water Solubility 5.080 mg/L 25 EST
Vapor Pressure 2.18E-04 mm Hg 25 EXP
Henry's Law Constant 6.72E-08 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.