Dichloroacetic acid

Dichloroacetic acid

Names
Preferred IUPAC name Dichloroacetic acid
Other names Dichloroethanoic acid, bichloroacetic acid, DCA, BCA, dichloracetic acid, bichloracetic acid
Identifiers
CAS Number	79-43-6 Y
3D model (JSmol)	Interactive image
Beilstein Reference	1098596
ChEBI	CHEBI:36386 Y
ChEMBL	ChEMBL13960 Y
ChemSpider	10771217 Y
DrugBank	DB08809 Y
ECHA InfoCard	100.001.098
EC Number	201-207-0
Gmelin Reference	2477
KEGG	C11149 Y
MeSH	Dichloroacetate
PubChem CID	6597
RTECS number	AG6125000
UNII	9LSH52S3LQ Y
UN number	1764
CompTox Dashboard (EPA)	DTXSID2020428
InChI InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) Y Key: JXTHNDFMNIQAHM-UHFFFAOYSA-N Y InChI=1/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) Key: JXTHNDFMNIQAHM-UHFFFAOYAK
SMILES ClC(Cl)C(O)=O
Properties
Chemical formula	C2H2Cl2O2
Molar mass	128.94 g·mol−1
Appearance	Colorless liquid
Density	1.5634 g/cm3 (20 °C)
Melting point	9 to 11 °C (48 to 52 °F; 282 to 284 K)
Boiling point	194 °C (381 °F; 467 K)
Solubility in water	miscible
Solubility	miscible with ethanol, diethyl ether[1]
Acidity (pKa)	1.35[1]
Magnetic susceptibility (χ)	-58.2·10−6 cm3/mol
Thermochemistry
Std enthalpy of formation (ΔfH⦵298)	−496.3 kJ·mol−1[1]
Hazards
GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H314, H400
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
Safety data sheet (SDS)	MSDS (jtbaker)
Related compounds
Related chloroacetic acids	Chloroacetic acid Trichloroacetic acid
Related compounds	Acetic acid Difluoroacetic acid Dibromoacetic 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

Dichloroacetic acid (DCA), sometimes called bichloroacetic acid (BCA), is the organic compound with formula CHCl₂CO₂H. It is an analogue of acetic acid, in which 2 of the 3 hydrogen atoms of the methyl group have been replaced by chlorine atoms. Like the other chloroacetic acids, it has various practical applications. The salts and esters of dichloroacetic acid are called dichloroacetates.