chempirical

2,4,6-Trichlorobenzoyl chloride

C7H2Cl4OCAS 4136-95-2243.89 g/mol

Open in Covalent MOL file
OClClClCl
Acyl halideAryl halide

Properties

Molecular formula
C7H2Cl4O
Molar mass
243.89 g/mol
Exact mass
241.8860 Da
Melting point
165–166 °C
Boiling point
90–96 °C (at 0.7 Torr)
logP
4.03Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
4136-95-2
SMILES
O=C(Cl)c1c(Cl)cc(Cl)cc1Cl
InChIKey
OZGSEIVTQLXWRO-UHFFFAOYSA-N
InChI
InChI=1S/C7H2Cl4O/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H

Weigh it out

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

Names and synonyms

2 names
  • Benzoyl chloride, 2,4,6-trichloro-
  • TCBC

Work with 2,4,6-Trichlorobenzoyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dichlorobenzoyl chloride4659-45-468 % similar 2,4-Dichlorobenzoyl chloride89-75-857 % similar 3,5-Dichlorobenzoyl chloride2905-62-656 % similar 2,4,6-Trichlorobenzoic acid50-43-155 % similar 2,5-Dichlorobenzoyl chloride2905-61-552 % similar 2-Chloro-6-fluorobenzoyl chloride79455-63-350 % similar 2,3,5,6-Tetrachloro-1,4-benzenedicarbonyl dichloride719-32-446 % similar 4,6-Dichloro-1H-indole-2,3-dione18711-15-446 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia