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Substance Name: alpha,alpha,alpha-Trifluoro-o-cresol
RN: 444-30-4
InChIKey: ZOQOPXVJANRGJZ-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-F3-O

Molecular Weight

  • 162.109
 
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Names and Synonyms

Synonyms

  • 2-(Trifluoromethyl)phenol
  • EINECS 207-148-7

Systematic Names

  • alpha,alpha,alpha-Trifluoro-o-cresol
  • Phenol, 2-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 444-30-4

System Generated Number

  • 0000444304

Structure Descriptors

InChI

1S/C7H5F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4,11H

InChIKey

ZOQOPXVJANRGJZ-UHFFFAOYSA-N

Smiles

Oc1ccccc1C(F)(F)F

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 45.5 deg C   EXP
Boiling Point 147.5 deg C   EXP
log P (octanol-water) 2.8 (none)   EXP
Water Solubility 1030 mg/L 25 EST
Vapor Pressure 0.668 mm Hg 25 EST
Henry's Law Constant 4.87E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.84E-12 cm3/molecule-sec 25 EST

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