Trichloroacetic acid

Trichloroacetic acid

Names
Preferred IUPAC name Trichloroacetic acid
Identifiers
CAS Number	76-03-9 Y
3D model (JSmol)	Interactive image
Beilstein Reference	970119
ChEBI	CHEBI:30956
ChEMBL	ChEMBL14053
ChemSpider	10772050
ECHA InfoCard	100.000.844
Gmelin Reference	2842
KEGG	C11150 Y
PubChem CID	6421
RTECS number	AJ7875000
UNII	5V2JDO056X Y
CompTox Dashboard (EPA)	DTXSID1021378
InChI InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7) Key: YNJBWRMUSHSURL-UHFFFAOYSA-N
SMILES ClC(Cl)(Cl)C(O)=O
Properties
Chemical formula	C2HCl3O2
Molar mass	163.38 g·mol−1
Appearance	Colorless to white, crystalline solid
Odor	Sharp, pungent [1]
Density	1.63 g/cm3
Melting point	57 to 58 °C (135 to 136 °F; 330 to 331 K)[2]
Boiling point	196 to 197 °C (385 to 387 °F; 469 to 470 K)[2]
Solubility in water	1000 g/100 mL[2]
Vapor pressure	1 mmHg (51.1 °C)[1]
Acidity (pKa)	0.66[3]
Magnetic susceptibility (χ)	−73.0·10−6 cm3/mol
Structure
Dipole moment	3.23 D
Hazards
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H314, H410
Precautionary statements	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):
LD50 (median dose)	5000 mg/kg orally in rats[2]
NIOSH (US health exposure limits):
PEL (Permissible)	None[1]
REL (Recommended)	TWA 1 ppm (7 mg/m3)[1]
IDLH (Immediate danger)	N.D.[1]
Related compounds
Related chloroacetic acids	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). Y verify (what is YN ?) Infobox references

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as trichloroethanoic acid) is an analogue of acetic acid in which the three hydrogen atoms of the methyl group have all been replaced by chlorine atoms.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.