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Substance Name: Hexafluoroisopropanol
RN: 920-66-1
UNII: 3D632GYQ50
InChIKey: BYEAHWXPCBROCE-UHFFFAOYSA-N

Molecular Formula

  • C3-H2-F6-O

Molecular Weight

  • 168.036
 
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Names and Synonyms

Name of Substance

  • Hexafluoroisopropanol

Synonyms

  • 1,1,1,3,3,3-Hexafluoro-2-propanol
  • 1,1,1,3,3,3-Hexafluoroisopropanol
  • 1,1,1,3,3,3-Hexafluoroisopropyl alcohol
  • 2,2,2-Trifluoro-1-(trifluoromethyl)ethanol
  • 2H-Hexafluoroisopropanol
  • AI3-29336
  • Bis(trifluoromethyl)methanol
  • BRN 1841007
  • CCRIS 6043
  • EC 213-059-4
  • EINECS 213-059-4
  • Ethanol, 2,2,2-trifluoro-1-(trifluoromethyl)-
  • Hexafluoro-2-propanol
  • Hexafluoroisopropanol
  • Hexafluoroisopropyl alcohol
  • HFIP
  • NSC 96336
  • UNII-3D632GYQ50

Systematic Names

  • 1,1,1,3,3,3-Hexafluoropropan-2-ol
  • 2-Propanol, 1,1,1,3,3,3-hexafluoro-

Registry Numbers

CAS Registry Number

  • 920-66-1

FDA UNII

  • 3D632GYQ50

System Generated Number

  • 0000920661

Structure Descriptors

InChI

1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H

InChIKey

BYEAHWXPCBROCE-UHFFFAOYSA-N

Smiles

C(C(C(F)(F)F)O)(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1215, 1970.
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03623,
mouse LD50 oral 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1215, 1970.
rat LC50 inhalation 1974ppm/4H (1974ppm) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BLOOD: OTHER CHANGES
National Technical Information Service. Vol. OTS0571423,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.00E+00 deg C   EXP
Boiling Point 59 deg C   EXP
pKa Dissociation Constant 9.3 (none) 25 EXP
log P (octanol-water) 1.66 (none)   EXP
Water Solubility 7770 mg/L 25 EST
Vapor Pressure 159 mm Hg 25 EXP
Henry's Law Constant 4.25E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 2.58E-14 cm3/molecule-sec 25 EXP

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