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Substance Name: p-Toluic acid, 2,3,5,6-tetrafluoro-
RN: 652-32-4
InChIKey: COOULIOYEXBFDT-UHFFFAOYSA-N

Molecular Formula

  • C8-H4-F4-O2

Molecular Weight

  • 208.11
 
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Names and Synonyms

Synonym

  • 2,3,5,6-Tetrafluoro-p-toluic acid

Systematic Name

  • p-Toluic acid, 2,3,5,6-tetrafluoro-

Registry Numbers

CAS Registry Number

  • 652-32-4

System Generated Number

  • 0000652324

Structure Descriptors

InChI

1S/C8H4F4O2/c1-2-4(9)6(11)3(8(13)14)7(12)5(2)10/h1H3,(H,13,14)

InChIKey

COOULIOYEXBFDT-UHFFFAOYSA-N

Smiles

OC(=O)c1c(F)c(F)c(C)c(F)c1F

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 173-175 deg C   EXP
pKa Dissociation Constant 2 (none) 25 EXP
log P (octanol-water) 3.15 (none)   EXP
Water Solubility 81.1 mg/L 25 EST
Vapor Pressure 0.011 mm Hg 25 EST
Henry's Law Constant 2.22E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.93E-13 cm3/molecule-sec 25 EST

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