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Substance Name: 4-(Trifluoromethyl)benzoic acid
RN: 455-24-3
InChIKey: SWKPKONEIZGROQ-UHFFFAOYSA-N

Molecular Formula

  • C8-H5-F3-O2

Molecular Weight

  • 190.12
 
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Names and Synonyms

Name of Substance

  • 4-(Trifluoromethyl)benzoic acid

Synonyms

  • 4-(Trifluoromethyl)benzoic acid
  • EINECS 207-242-8
  • NSC 88327

Systematic Names

  • alpha,alpha,alpha-Trifluoro-p-toluic acid
  • Benzoic acid, 4-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 455-24-3

System Generated Number

  • 0000455243

Structure Descriptors

InChI

1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)

InChIKey

SWKPKONEIZGROQ-UHFFFAOYSA-N

Smiles

c1(ccc(C(O)=O)cc1)C(F)(F)F

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 219.5 deg C   EXP
log P (octanol-water) 3.1 (none)   EXP
Water Solubility 111 mg/L 25 EST
Vapor Pressure 9.87E-03 mm Hg 25 EST
Henry's Law Constant 9.42E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.29E-13 cm3/molecule-sec 25 EST

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