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Substance Name: 2-Fluorobenzoic acid
RN: 445-29-4
UNII: 64UZ32KOO4
InChIKey: NSTREUWFTAOOKS-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-F-O2

Molecular Weight

  • 140.1125
 
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Names and Synonyms

Name of Substance

  • 2-Fluorobenzoic acid

Synonyms

  • 2-Fluorobenzoic acid
  • 4-09-00-00950 (Beilstein Handbook Reference)
  • AI3-33424
  • BRN 0971265
  • EINECS 207-158-1
  • NSC 10319
  • o-Fluorbenzoesaeure
  • o-Fluorbenzoesaeure [German]
  • o-Fluorobenzoic acid
  • UNII-64UZ32KOO4

Systematic Names

  • 2-Fluorobenzoic acid
  • Benzoic acid, 2-fluoro-
  • Benzoic acid, o-fluoro-

Registry Numbers

CAS Registry Number

  • 445-29-4

FDA UNII

  • 64UZ32KOO4

System Generated Number

  • 0000445294

Structure Descriptors

InChI

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

InChIKey

NSTREUWFTAOOKS-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C(=O)O)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01726,
mouse LDLo subcutaneous 700mg/kg (700mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 183, Pg. 427, 1936.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 126.5 deg C   EXP
pKa Dissociation Constant 3.27 (none) 25 EXP
log P (octanol-water) 1.77 (none)   EXP
Water Solubility 7200 mg/L 25 EXP
Vapor Pressure 0.059 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.