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Substance Name: Trifluoroethanol
RN: 75-89-8
UNII: 8T8I76KYF1
InChIKey: RHQDFWAXVIIEBN-UHFFFAOYSA-N

Note

  • A non-aqueous co-solvent that serves as tool to study protein folding. It is also used in various pharmaceutical, chemical and engineering applications.

Molecular Formula

  • C2-H3-F3-O

Molecular Weight

  • 100.0387
 

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant
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Names and Synonyms

Name of Substance

  • Trifluoroethanol

MeSH Heading

  • Trifluoroethanol

Synonyms

  • 2,2,2-Trifluoroethanol
  • 2,2,2-Trifluoroethyl alcohol
  • 4-01-00-01370 (Beilstein Handbook Reference)
  • AI3-25486
  • beta,beta,beta-Trifluoroethyl alcohol
  • BRN 1733203
  • EC 200-913-6
  • EINECS 200-913-6
  • Fluorinol 85
  • NSC 451
  • TFE
  • Trifluoroethanol
  • UNII-8T8I76KYF1

Systematic Names

  • 2,2,2-Trifluoroethanol
  • Ethanol, 2,2,2-trifluoro-

Superlist Name

  • Ethanol, 2,2,2-trifluoro-

Registry Numbers

CAS Registry Number

  • 75-89-8

FDA UNII

  • 8T8I76KYF1

System Generated Number

  • 0000075898

Structure Descriptors

InChI

1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2

InChIKey

RHQDFWAXVIIEBN-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 400mg/kg (400mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Toxicology and Applied Pharmacology. Vol. 15, Pg. 83, 1969.
mouse LC50 inhalation 2900mg/m3/2H (2900mg/m3) BRAIN AND COVERINGS: "CHANGES IN CIRCULATION (HEMORRHAGE, THROMBOSIS, ETC.)"

BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(10), Pg. 29, 1969.
mouse LD50 intraperitoneal 158mg/kg (158mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Annales Medicinae Experimentalis et Biologiae Fenniae. Vol. 46, Pg. 242, 1968.
mouse LD50 intravenous 250mg/kg (250mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Annales Medicinae Experimentalis et Biologiae Fenniae. Vol. 46, Pg. 242, 1968.
mouse LD50 oral 366mg/kg (366mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: TREMOR

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Toxicology and Applied Pharmacology. Vol. 15, Pg. 83, 1969.
rabbit LD50 skin 390uL/kg (0.39mL/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" National Technical Information Service. Vol. OTS0555986,
rat LC50 inhalation 470ppm/6H (470ppm) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: ATAXIA

BEHAVIORAL: TREMOR
National Technical Information Service. Vol. OTS0555986,
rat LD50 intraperitoneal 210mg/kg (210mg/kg)   Toxicology and Applied Pharmacology. Vol. 71, Pg. 84, 1983.
rat LD50 oral 240mg/kg (240mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 607, 1969.
rat LD50 skin 1680mg/kg (1680mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 607, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.35E+01 deg C   EXP
Boiling Point 74 deg C   EXP
pKa Dissociation Constant 12.37 (none) 25 EXP
log P (octanol-water) 0.41 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EXP
Vapor Pressure 71.3 mm Hg 25 EXP
Henry's Law Constant 1.73E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 9.55E-14 cm3/molecule-sec 25 EXP

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