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Substance Name: 4-Cyanophenol
RN: 767-00-0
UNII: 1S13529YJU
InChIKey: CVNOWLNNPYYEOH-UHFFFAOYSA-N

Note

  • Reversible monoamine oxidase inhibitor.

Molecular Formula

  • C7-H5-N-O

Molecular Weight

  • 119.122
 
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Names and Synonyms

Name of Substance

  • 4-Cyanophenol

Synonyms

  • 4-Cyanophenol
  • 4-Hydroxybenzonitrile
  • AI3-52392
  • EINECS 212-175-2
  • NSC 400524
  • p-Cyanophenol
  • p-Hydroxybenzonitrile
  • UNII-1S13529YJU

Systematic Names

  • 4-Hydroxybenzonitrile
  • Benzonitrile, 4-hydroxy-
  • Benzonitrile, p-hydroxy-

Registry Numbers

CAS Registry Number

  • 767-00-0

FDA UNII

  • 1S13529YJU

System Generated Number

  • 0000767000

Structure Descriptors

InChI

1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H

InChIKey

CVNOWLNNPYYEOH-UHFFFAOYSA-N

Smiles

c1(ccc(O)cc1)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 oral 450mg/kg (450mg/kg)   Annales Pharmaceutiques Francaises. Vol. 41, Pg. 391, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 110-113 deg C   EXP
pKa Dissociation Constant 7.967 (none) 25 EXP
log P (octanol-water) 1.6 (none)   EXP
Water Solubility 8980 mg/L 25 EST
Vapor Pressure 6.65E-03 mm Hg 25 EST
Henry's Law Constant 5.42E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.02E-12 cm3/molecule-sec 25 EST

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