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
3D model (JSmol)
Beilstein Reference
1098596
ChEBI
ChEMBL
ChemSpider
DrugBank
ECHA InfoCard 100.001.098
EC Number
  • 201-207-0
Gmelin Reference
2477
KEGG
MeSH Dichloroacetate
PubChem CID
RTECS number
  • AG6125000
UNII
UN number 1764
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 fH298)
−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 It is an analogue of acetic acid, in which 2 of the 3 hydrogen atoms of the methyl group have been replaced by chlorine atoms.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.

  1. ^ a b c Cite error: The named reference CRC was invoked but never defined (see the help page).