Trichloroacetic acid

Trichloroacetic acid (TCA; TCAA; also known as trichloroethanoic acid) is an analogue of acetic acid in which the three hydrogen atoms of the methyl group have all been replaced by chlorine atoms. Salts and esters of trichloroacetic acid are called trichloroacetates.

Trichloroacetic acid
Names
Preferred IUPAC name
Trichloroacetic acid
Identifiers
3D model (JSmol)
970119
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.000.844
2842
KEGG
RTECS number
  • AJ7875000
UNII
  • InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
    Key: YNJBWRMUSHSURL-UHFFFAOYSA-N
  • ClC(Cl)(Cl)C(O)=O
Properties
C2HCl3O2
Molar mass 163.38 g·mol−1
Appearance Colorless to white, crystalline solid
Odor Sharp, pungent
Density 1.63 g/cm3
Melting point 57 to 58 °C (135 to 136 °F; 330 to 331 K)
Boiling point 196 to 197 °C (385 to 387 °F; 469 to 470 K)
1000 g/100 mL
Vapor pressure 1 mmHg (51.1 °C)
Acidity (pKa) 0.66
−73.0·10−6 cm3/mol
Structure
3.23 D
Hazards
GHS labelling:
Danger
H314, H410
P260, P264, P273, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P391, P405, P501
NFPA 704 (fire diamond)
3
1
0
Lethal dose or concentration (LD, LC):
5000 mg/kg orally in rats
NIOSH (US health exposure limits):
PEL (Permissible)
None
REL (Recommended)
TWA 1 ppm (7 mg/m3)
IDLH (Immediate danger)
N.D.
Related compounds
Chloroacetic acid
Dichloroacetic acid
Related compounds
Acetic acid
Trifluoroacetic acid
Tribromoacetic acid
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references
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