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Substance Name: 4-Cyanobenzoic acid
RN: 619-65-8
UNII: 50Z9A3423Z
InChIKey: ADCUEPOHPCPMCE-UHFFFAOYSA-N

Molecular Formula

  • C8-H5-N-O2

Molecular Weight

  • 147.133
 
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Names and Synonyms

Name of Substance

  • 4-Cyanobenzoic acid

Synonyms

  • 4-Cyanobenzoic acid
  • EINECS 210-606-9
  • NSC 6306
  • p-Carboxybenzonitrile
  • UNII-50Z9A3423Z

Systematic Names

  • 4-Cyanobenzoic acid
  • Benzoic acid, 4-cyano-
  • Benzoic acid, p-cyano- (8CI)

Registry Numbers

CAS Registry Number

  • 619-65-8

FDA UNII

  • 50Z9A3423Z

System Generated Number

  • 0000619658

Structure Descriptors

InChI

1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)

InChIKey

ADCUEPOHPCPMCE-UHFFFAOYSA-N

Smiles

c1(ccc(C#N)cc1)C(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 221 dec deg C   EXP
pKa Dissociation Constant 3.55 (none) 20 EXP
log P (octanol-water) 1.56 (none)   EXP
Water Solubility 1200 mg/L 20 EXP
Vapor Pressure 2.09E-04 mm Hg 25 EST
Henry's Law Constant 1.05E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.15E-13 cm3/molecule-sec 25 EST

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