Sodium dichloroacetate

C2HCl2NaO2CAS 2156-56-1150.92 g/mol

Open in Covalent MOL file
O−OClClNa+
Alkyl halideCarboxylic acid

Properties

Molecular formula
C2HCl2NaO2
Molar mass
150.92 g/mol
Exact mass
149.9251 Da
logP
0.49Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
2156-56-1
SMILES
[O-]C(=O)C(Cl)Cl.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Acetic acid, 2,2-dichloro-, sodium salt (1:1)
  • Acetic acid, dichloro-, sodium salt
  • Dichloroacetic acid sodium salt
  • CPC 211
  • Ceresine
  • DCA

Work with Sodium dichloroacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dichloroacetic acid79-43-6Free acid Diisopropylammonium dichloroacetate660-27-5Salt

Similar compounds

Sodium tartrate868-18-850 % similar Disodium bis(R,R-tartrato)diantimonate(2-)34521-09-046 % similar Potassium sodium tartrate304-59-644 % similar Sodium lactate312-85-644 % similar Sodium tartrate dihydrate6106-24-744 % similar Sodium lactate72-17-344 % similar Sodium L-lactate867-56-144 % similar Sodium valproate1069-66-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook