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Substance Name: Phenol, 2-(2-benzoxazolyl)-
RN: 835-64-3
InChIKey: GHGZVWOTJDLREY-UHFFFAOYSA-N

Molecular Formula

  • C13-H9-N-O2

Molecular Weight

  • 211.219
 
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Names and Synonyms

Synonyms

  • 2-(2-Hydroxyphenyl)benzoxazole
  • 2-(o-Hydroxyphenyl)benzoxazole
  • 2-Benzoxazol-2-ylphenol
  • 4-27-00-02080 (Beilstein Handbook Reference)
  • BRN 0173017
  • CCRIS 7875
  • EINECS 212-642-0
  • NSC 403545
  • NSC 5423
  • Phenol, 2-(2-benzoxazolyl)-
  • USAF EK-6754

Systematic Names

  • 2-(2-Hydroxyphenyl)benzoxazole
  • 2-Benzoxazol-2-ylphenol
  • Phenol, 2-(2-benzoxazolyl)-
  • Phenol, o-2-benzoxazolyl- (8CI)

Registry Numbers

CAS Registry Number

  • 835-64-3

System Generated Number

  • 0000835643

Structure Descriptors

InChI

1S/C13H9NO2/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H

InChIKey

GHGZVWOTJDLREY-UHFFFAOYSA-N

Smiles

c1(c2c(cccc2)O)nc2ccccc2o1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2gm/kg (2000mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 123.5 deg C   EXP
Boiling Point 338 deg C   EXP
log P (octanol-water) 3.000 (none)   EST
Water Solubility 397 mg/L 25 EST
Henry's Law Constant 5.49E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.96E-11 cm3/molecule-sec 25 EST

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