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Substance Name: Trichloroacetic acid [USP]
RN: 76-03-9
UNII: 5V2JDO056X
InChIKey: YNJBWRMUSHSURL-UHFFFAOYSA-N

Note

  • A strong acid used as a protein precipitant in clinical chemistry and also as a caustic for removing warts.

Molecular Formula

  • C2-H-Cl3-O2

Molecular Weight

  • 163.3869
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Caustics
  • Drug / Therapeutic Agent
  • Herbicide
  • Mutation Data
  • Noxae
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 3
  • TWA (1 ppm); Confirmed animal carcinogen with unknown relevance to humans

Names and Synonyms

Name of Substance

  • TCA [BSI:ISO]
  • Trichloroacetic acid
  • Trichloroacetic acid [USP]

MeSH Heading

  • Trichloroacetic acid

Synonyms

  • 4-02-00-00508 (Beilstein Handbook Reference)
  • Acetic acid, trichloro-
  • Acetic acid, trichloro- (solid)
  • Aceto-caustin
  • Acide trichloracetique
  • Acide trichloracetique [French]
  • Acido tricloroacetico
  • Acido tricloroacetico [Italian]
  • AI3-24157
  • Amchem grass killer
  • BRN 0970119
  • Caswell No. 870
  • CCRIS 4015
  • EC 200-927-2
  • EINECS 200-927-2
  • EPA Pesticide Chemical Code 081002
  • HSDB 1779
  • Konesta
  • Kyselina trichloroctova
  • Kyselina trichloroctova [Czech]
  • NSC 215204
  • TCA
  • Tecane
  • Trichloorazijnzuur
  • Trichloorazijnzuur [Dutch]
  • Trichloracetic acid
  • Trichloressigsaeure
  • Trichloressigsaeure [German]
  • Trichloroacetate
  • Trichloroacetic acid
  • Trichloroacetic acid (IUPAC)
  • Trichloroethanoic acid
  • Trichloromethanecarboxylic acid
  • UNII-5V2JDO056X

Systematic Names

  • Acetic acid, 2,2,2-trichloro-
  • Acetic acid, trichloro-
  • Trichloroacetic acid

Superlist Names

  • Acetic acid, trichloro-
  • Trichloroacetic acid
  • Trichloroacetic acid [UN1839] [Corrosive]
  • Trichloroacetic acid, solution
  • Trichloroacetic acid, solution [UN2564] [Corrosive]
  • UN1839
  • UN2564

Registry Numbers

CAS Registry Number

  • 76-03-9

FDA UNII

  • 5V2JDO056X

System Generated Number

  • 0000076039

Structure Descriptors

InChI

1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)

InChIKey

YNJBWRMUSHSURL-UHFFFAOYSA-N

Smiles

C(C(=O)O)(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 270mg/kg (270mg/kg)   Drugs in Japan Vol. 6, Pg. 879, 1982.
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 214, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 57.5 deg C   EXP
Boiling Point 196.5 deg C   EXP
pKa Dissociation Constant 0.512 (none)   EXP
log P (octanol-water) 1.33 (none)   EXP
Water Solubility 4.40E+04 mg/L 25 EXP
Henry's Law Constant 1.35E-08 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.