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Substance Name: Trifluoroacetic acid
RN: 76-05-1
UNII: E5R8Z4G708
InChIKey: DTQVDTLACAAQTR-UHFFFAOYSA-N

Note

  • A very strong halogenated derivative of acetic acid. It is used in acid catalyzed reactions, especially those where an ester is cleaved in peptide synthesis.

Molecular Formula

  • C2-H-F3-O2

Molecular Weight

  • 114.0219
 

Classification Codes

  • Mutation Data
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Trifluoroacetic acid

MeSH Heading

  • Trifluoroacetic acid

Synonyms

  • 4-02-00-00458 (Beilstein Handbook Reference)
  • AI3-28549
  • BRN 0742035
  • EC 200-929-3
  • EINECS 200-929-3
  • HSDB 7508
  • Kyselina trifluoroctova
  • Kyselina trifluoroctova [Czech]
  • NSC 77366
  • Perfluoroacetic acid
  • Trifluoracetic acid
  • Trifluoroacetic acid
  • Trifluoroethanoic acid
  • UNII-E5R8Z4G708

Systematic Names

  • Acetic acid, 2,2,2-trifluoro-
  • Acetic acid, trifluoro-
  • Trifluoroacetic acid

Superlist Names

  • Trifluoroacetic acid
  • Trifluoroacetic acid [UN2699] [Corrosive]
  • UN2699

Registry Numbers

CAS Registry Number

  • 76-05-1

FDA UNII

  • E5R8Z4G708

System Generated Number

  • 0000076051

Structure Descriptors

InChI

1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)

InChIKey

DTQVDTLACAAQTR-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 13500mg/m3 (13500mg/m3) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(3), Pg. 13, 1966.
mouse LD50 intravenous 1200mg/kg (1200mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Annales Medicinae Experimentalis et Biologiae Fenniae. Vol. 46, Pg. 242, 1968.
mouse LDLo intraperitoneal 150mg/kg (150mg/kg)   Toxicology and Applied Pharmacology. Vol. 15, Pg. 83, 1969.
rat LC50 inhalation 10gm/m3 (10000mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(3), Pg. 13, 1966.
rat LDLo oral 500mg/kg (500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(3), Pg. 13, 1966.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.52E+01 deg C   EXP
Boiling Point 73 deg C   EXP
pKa Dissociation Constant 0.52 (none) 25 EXP
log P (octanol-water) 0.500 (none)   EST
Water Solubility 1.00E+06 mg/L 20 EXP
Vapor Pressure 110 mm Hg 25 EXP
Henry's Law Constant 1.11E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 5.20E-13 cm3/molecule-sec 25 EST

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