chempirical

Sodium trichloroacetate

C2Cl3NaO2CAS 650-51-1185.36 g/mol

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

Properties

Molecular formula
C2Cl3NaO2
Molar mass
185.36 g/mol
Exact mass
183.8862 Da
Density
0.9 g/mL
Melting point
165–200 °C (decomposes)
logP
1.06Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
650-51-1
SMILES
[O-]C(=O)C(Cl)(Cl)Cl.[Na+]
InChIKey
AHFKXSVSQLNSSC-UHFFFAOYSA-N
InChI
InChI=1S/C2HCl3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);

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Names and synonyms

13 names · show all
  • Acetic acid, 2,2,2-trichloro-, sodium salt (1:1)
  • STCA
  • Trichloroacetic acid sodium salt
  • TCA sodium salt
  • Varitox
  • Antiperz
  • NaTa
  • TCAN
  • Remazol salt FD
  • Drimarene salt FD
  • Acetic acid, trichloro-, sodium salt
  • Antyperz
  • Sodium TCA

Work with Sodium trichloroacetate

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

Similar compounds

Dalapon sodium127-20-856 % similar Sodium chlorodifluoroacetate1895-39-256 % similar Sodium trifluoroacetate2923-18-450 % similar Sodium pentafluoropropionate378-77-844 % similar Sodium heptafluorobutyrate2218-54-440 % similar Trisodium citrate68-04-239 % similar Perfluorooctanoic acid sodium salt335-95-538 % similar Hexachloroacetone116-16-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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