chempirical

Trichloroacetyl chloride

C2Cl4OCAS 76-02-8181.82 g/mol

Open in Covalent MOL file
OClClClCl
Acyl halideAlkyl halide

Properties

Molecular formula
C2Cl4O
Molar mass
181.82 g/mol
Exact mass
179.8703 Da
Density
1.6202 g/mL (at 20 °C)
Melting point
−31.8 °C
Boiling point
117.9 °C
logP
2.12Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
76-02-8
SMILES
O=C(Cl)C(Cl)(Cl)Cl
InChIKey
PVFOMCVHYWHZJE-UHFFFAOYSA-N
InChI
InChI=1S/C2Cl4O/c3-1(7)2(4,5)6

Weigh it out

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Names and synonyms

6 names
  • Acetyl chloride, 2,2,2-trichloro-
  • Acetyl chloride, trichloro-
  • 2,2,2-Trichloroacetyl chloride
  • Trichloroacetochloride
  • Trichloroacetic acid chloride
  • NSC 190466

Work with Trichloroacetyl chloride

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-2,2-difluoroacetyl chloride354-24-550 % similar Pivaloyl chloride3282-30-245 % similar Trifluoroacetyl chloride354-32-545 % similar 2,2,3,3-Tetrafluorobutanedioyl dichloride356-15-045 % similar Hexachloroacetone116-16-544 % similar Bromodifluoroacetyl chloride3832-48-239 % similar 2,2,3,3,4,4-Hexafluoropentanedioyl dichloride678-77-339 % similar Trichloroacetic anhydride4124-31-638 % similar

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

Elsewhere

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