chempirical

2,4-Dichlorobenzenesulfonyl chloride

C6H3Cl3O2SCAS 16271-33-3245.50 g/mol

Open in Covalent MOL file
OSOClClCl
Aryl halide

Properties

Molecular formula
C6H3Cl3O2S
Molar mass
245.50 g/mol
Exact mass
243.8919 Da
Melting point
56 °C
logP
2.92Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
16271-33-3
SMILES
O=S(=O)(Cl)c1ccc(Cl)cc1Cl
InChIKey
FDTPBIKNYWQLAE-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl3O2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H

Weigh it out

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

Names and synonyms

3 names
  • Benzenesulfonyl chloride, 2,4-dichloro-
  • 2,4-Dichlorophenylsulfonyl chloride
  • 2,4-Dichlorobenzene-1-sulfonyl chloride

Work with 2,4-Dichlorobenzenesulfonyl 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-Chlorobenzenesulfonyl chloride2905-23-962 % similar 2,4,5-Trichlorobenzenesulfonyl chloride15945-07-059 % similar 5-Chloro-2-fluorobenzenesulfonyl chloride351003-49-158 % similar 2,3,4-Trichlorobenzenesulfonyl chloride34732-09-753 % similar 2,4-Dichloro-5-methylbenzenesulfonyl chloride28286-86-452 % similar 4-Amino-6-chloro-1,3-benzenedisulfonyl dichloride671-89-652 % similar 6-Chloro-2-naphthalenesulfonyl chloride102153-63-950 % similar 3-Chlorobenzenesulfonyl chloride2888-06-450 % similar

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

Same formula

2,5-Dichlorobenzenesulfonyl chloride5402-73-3 2,3-Dichlorobenzenesulfonyl chloride82417-45-6 3,4-Dichlorobenzenesulfonyl chloride98-31-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook