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Substance Name: Benzoxazole, 2-phenyl-
RN: 833-50-1
InChIKey: FIISKTXZUZBTRC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H9-N-O

Molecular Weight

  • 195.22
 
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Names and Synonyms

Synonyms

  • 2-Phenylbenzoxazole
  • AI3-15936
  • Benzoxazole, 2-phenyl-
  • CCRIS 7874
  • NSC 29105
  • NSC 406946
  • Phenyl-2 benzoxazole
  • Phenyl-2 benzoxazole [French]

Systematic Names

  • 2-Phenylbenzoxazole
  • Benzoxazole, 2-phenyl-

Registry Numbers

CAS Registry Number

  • 833-50-1

Other Registry Number

  • 69932-15-6

System Generated Number

  • 0000833501

Structure Descriptors

InChI

1S/C13H9NO/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H

InChIKey

FIISKTXZUZBTRC-UHFFFAOYSA-N

Smiles

c1ccccc1c1nc2ccccc2o1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 3gm/kg (3000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 533, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 102-104 deg C   EXP
log P (octanol-water) 3.67 (none)   EXP
Water Solubility 34 mg/L 25 EST
Vapor Pressure 3.11E-05 mm Hg 25 EST
Henry's Law Constant 5.27E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.90E-11 cm3/molecule-sec 25 EST

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