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Substance Name: 2,6-Difluorobenzoic acid
RN: 385-00-2
InChIKey: ONOTYLMNTZNAQZ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H4-F2-O2

Molecular Weight

  • 158.1026
 
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Names and Synonyms

Name of Substance

  • 2,6-Difluorobenzoic acid

Synonyms

  • 2,6-Difluorobenzoic acid
  • 3-09-00-01330 (Beilstein Handbook Reference)
  • AI3-63060
  • BRN 0973774
  • EINECS 206-856-3
  • NSC 126584

Systematic Names

  • 2,6-Difluorobenzoic acid
  • Benzoic acid, 2,6-difluoro-

Registry Numbers

CAS Registry Number

  • 385-00-2

System Generated Number

  • 0000385002

Structure Descriptors

InChI

1S/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)

InChIKey

ONOTYLMNTZNAQZ-UHFFFAOYSA-N

Smiles

c1cc(c(c(c1)F)C(=O)O)F

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 159 deg C   EXP
pKa Dissociation Constant 2.85 (none) 25 EXP
log P (octanol-water) 1.59 (none)   EXP
Water Solubility 3060 mg/L 25 EST
Vapor Pressure 0.026 mm Hg 25 EST
Henry's Law Constant 1.48E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.65E-12 cm3/molecule-sec 25 EST

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