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Substance Name: 4-Benzoylpyridine
RN: 14548-46-0
UNII: 524YQ3O21T
InChIKey: SKFLCXNDKRUHTA-UHFFFAOYSA-N

Note

  • Used to measure reductase activity.

Molecular Formula

  • C12-H9-N-O

Molecular Weight

  • 183.209
 
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Names and Synonyms

Name of Substance

  • 4-Benzoylpyridine

Synonyms

  • 4-Benzoylpyridine
  • 4-Pyridyl phenyl ketone
  • 5-21-08-00576 (Beilstein Handbook Reference)
  • Ba 33215
  • BRN 0003864
  • EINECS 238-586-7
  • gamma-Benzoylpyridine
  • NSC 9488
  • Phenyl 4-pyridyl ketone
  • Phenyl(4-pyridinyl)methanone
  • Pyridine, 4-benzoyl-
  • UNII-524YQ3O21T

Systematic Names

  • Ketone, phenyl 4-pyridyl
  • Methanone, phenyl-4-pyridinyl-
  • Phenyl 4-pyridyl ketone

Registry Numbers

CAS Registry Number

  • 14548-46-0

FDA UNII

  • 524YQ3O21T

System Generated Number

  • 0014548460

Structure Descriptors

InChI

1S/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9H

InChIKey

SKFLCXNDKRUHTA-UHFFFAOYSA-N

Smiles

c1(C(c2ccncc2)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 520mg/kg (520mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 551, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 72 deg C   EXP
Boiling Point 315 deg C   EXP
log P (octanol-water) 1.98 (none)   EXP
Water Solubility 1080 mg/L 25 EST
Vapor Pressure 3.67E-04 mm Hg 25 EST
Henry's Law Constant 2.54E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.11E-12 cm3/molecule-sec 25 EST

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