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Substance Name: p-Fluorobenzoic acid
RN: 456-22-4
UNII: V5ROO2HOU4
InChIKey: BBYDXOIZLAWGSL-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-F-O2

Molecular Weight

  • 140.1125
 
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Names and Synonyms

Name of Substance

  • 4-Fluorobenzoic acid
  • p-Fluorobenzoic acid

Synonyms

  • 4-Fluorobenzoic acid
  • EINECS 207-259-0
  • NSC 10321
  • p-Fluorobenzoic acid
  • UNII-V5ROO2HOU4

Systematic Names

  • 4-Fluorobenzoic acid
  • Benzoic acid, 4-fluoro-
  • Benzoic acid, p-fluoro- (8CI)

Registry Numbers

CAS Registry Number

  • 456-22-4

FDA UNII

  • V5ROO2HOU4

Related Registry Number

  • 499-90-1 (mono-hydrochloride salt)

System Generated Number

  • 0000456224

Structure Descriptors

InChI

1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)

InChIKey

BBYDXOIZLAWGSL-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(=O)O)F

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 185 deg C   EXP
pKa Dissociation Constant 4.14 (none) 25 EXP
log P (octanol-water) 2.07 (none)   EXP
Water Solubility 1200 mg/L 25 EXP
Vapor Pressure 0.019 mm Hg 25 EST
Henry's Law Constant 1.27E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.42E-12 cm3/molecule-sec 25 EST

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