chempirical

Trichloroacetic anhydride

C4Cl6O3CAS 4124-31-6308.74 g/mol

Open in Covalent MOL file
OOOClClClClClCl
Acid anhydrideAlkyl halide

Properties

Molecular formula
C4Cl6O3
Molar mass
308.74 g/mol
Exact mass
305.7979 Da
Boiling point
96–100 °C (at NaN Torr)
logP
2.80Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
4124-31-6
SMILES
O=C(OC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIKey
MEFKFJOEVLUFAY-UHFFFAOYSA-N
InChI
InChI=1S/C4Cl6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10

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Names and synonyms

5 names
  • Acetic acid, 2,2,2-trichloro-, 1,1′-anhydride
  • Acetic acid, trichloro-, anhydride
  • Trichloracetic anhydride
  • Trichloroacetic acid anhydride
  • (2,2,2-Trichloroacetyl) 2,2,2-trichloroacetate

Work with Trichloroacetic anhydride

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

Methyl trichloroacetate598-99-257 % similar Chlorodifluoroacetic anhydride2834-23-350 % similar Ethyl trichloroacetate515-84-450 % similar Pivalic anhydride1538-75-643 % similar Trifluoroacetic anhydride407-25-043 % similar 3,3,4,4-Tetrafluorodihydro-2,5-furandione699-30-943 % similar Hexachloroacetone116-16-542 % similar Trichloroacetyl chloride76-02-838 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook