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Substance Name: 2-Benzoylpyridine
RN: 91-02-1
UNII: IZ1TTI0X5O
InChIKey: GCSHUYKULREZSJ-UHFFFAOYSA-N

Molecular Formula

  • C12-H9-N-O

Molecular Weight

  • 183.209
 
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Names and Synonyms

Name of Substance

  • 2-Benzoylpyridine

Synonyms

  • 2-Benzoylpyridine
  • 2-Pyridyl phenyl ketone
  • 5-21-08-00566 (Beilstein Handbook Reference)
  • AI3-52531
  • BRN 0120283
  • EINECS 202-034-3
  • NSC 20887
  • Phenyl 2-pyridyl ketone
  • Pyridine, 2-benzoyl-
  • UNII-IZ1TTI0X5O

Systematic Names

  • Ketone, phenyl 2-pyridyl
  • Methanone, phenyl-2-pyridinyl-
  • Phenyl 2-pyridyl ketone

Registry Numbers

CAS Registry Number

  • 91-02-1

FDA UNII

  • IZ1TTI0X5O

System Generated Number

  • 0000091021

Structure Descriptors

InChI

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

InChIKey

GCSHUYKULREZSJ-UHFFFAOYSA-N

Smiles

O=C(c1ccccc1)c2ccccn2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 475mg/kg (475mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 551, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 42 deg C   EXP
Boiling Point 317 deg C   EXP
log P (octanol-water) 1.88 (none)   EXP
Water Solubility 1320 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.