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Substance Name: 2-Trifluoromethylbenzoic acid
RN: 433-97-6
UNII: 0R1CK7MZUA
InChIKey: FBRJYBGLCHWYOE-UHFFFAOYSA-N

Molecular Formula

  • C8-H5-F3-O2

Molecular Weight

  • 190.12
 
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Names and Synonyms

Name of Substance

  • 2-Trifluoromethylbenzoic acid

Synonyms

  • EINECS 207-093-9
  • NSC 88326
  • UNII-0R1CK7MZUA

Systematic Name

  • alpha,alpha,alpha-Trifluoro-o-toluic acid

Registry Numbers

CAS Registry Number

  • 433-97-6

FDA UNII

  • 0R1CK7MZUA

System Generated Number

  • 0000433976

Structure Descriptors

InChI

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

InChIKey

FBRJYBGLCHWYOE-UHFFFAOYSA-N

Smiles

c1(c(C(O)=O)cccc1)C(F)(F)F

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 111 deg C   EXP
log P (octanol-water) 2.490 (none)   EST
Water Solubility 4800 mg/L 25 EXP
Atmospheric OH Rate Constant 6.29E-13 cm3/molecule-sec 25 EST

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