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

Hazards

Danger
Corrosive (GHS05)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

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

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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

4-Chloro-2-fluorobenzene-1-sulfonyl chloride141337-26-063 % similar 4-Bromo-2-chlorobenzenesulfonyl chloride351003-52-663 % similar 2-Chloro-4-fluorobenzenesulfonyl chloride85958-57-263 % similar 2-Chlorobenzenesulfonyl chloride2905-23-962 % similar 2,4,5-Trichlorobenzenesulfonyl chloride15945-07-059 % similar 5-Chloro-2-fluorobenzenesulfonyl chloride351003-49-158 % similar 2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride175205-54-657 % similar 2-Chloro-4-cyanobenzene-1-sulfonyl chloride254749-11-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dichlorobenzenesulfonyl chloride5402-73-3 2,6-Dichlorobenzenesulfonylchloride6579-54-0 3,5-Dichlorobenzenesulfonyl chloride705-21-5 2,3-Dichlorobenzenesulfonyl chloride82417-45-6 3,4-Dichlorobenzenesulfonyl chloride98-31-7

Elsewhere

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