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Substance Name: (alpha,alpha,alpha-Trifluoro-4-tolyl)acetic acid
RN: 32857-62-8
InChIKey: HNORVZDAANCHAY-UHFFFAOYSA-N

Molecular Formula

  • C9-H7-F3-O2

Molecular Weight

  • 204.146
 
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Names and Synonyms

Synonym

  • EINECS 251-263-5

Systematic Names

  • (alpha,alpha,alpha-Trifluoro-4-tolyl)acetic acid
  • Benzeneacetic acid, 4-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 32857-62-8

System Generated Number

  • 0032857628

Structure Descriptors

InChI

1S/C9H7F3O2/c10-9(11,12)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)

InChIKey

HNORVZDAANCHAY-UHFFFAOYSA-N

Smiles

OC(=O)Cc1ccc(C(F)(F)F)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 83-85 deg C   EXP
log P (octanol-water) 2.45 (none)   EXP
Water Solubility 836 mg/L 25 EST
Vapor Pressure 3.27E-03 mm Hg 25 EST
Henry's Law Constant 3.84E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.87E-12 cm3/molecule-sec 25 EST

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