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Substance Name: 2-Chloro-6-fluorobenzoic acid
RN: 434-75-3
UNII: EUQ5BP41S0
InChIKey: XNTIGDVFBDJLTQ-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-Cl-F-O2

Molecular Weight

  • 174.558
 
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Names and Synonyms

Name of Substance

  • 2-Chloro-6-fluorobenzoic acid

Synonyms

  • EINECS 207-105-2
  • UNII-EUQ5BP41S0

Systematic Name

  • 2-Chloro-6-fluorobenzoic acid

Registry Numbers

CAS Registry Number

  • 434-75-3

FDA UNII

  • EUQ5BP41S0

System Generated Number

  • 0000434753

Structure Descriptors

InChI

1S/C7H4ClFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)

InChIKey

XNTIGDVFBDJLTQ-UHFFFAOYSA-N

Smiles

OC(=O)c1c(Cl)cccc1F

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 160 deg C   EXP
log P (octanol-water) 2.11 (none)   EXP
Water Solubility 923 mg/L 25 EST
Vapor Pressure 3.16E-03 mm Hg 25 EST
Henry's Law Constant 9.38E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.16E-12 cm3/molecule-sec 25 EST

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