3,4-Dichlorobenzenesulfonyl chloride

C6H3Cl3O2SCAS 98-31-7245.50 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
67–69 °C
logP
2.92Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
98-31-7
SMILES
O=S(=O)(Cl)c1ccc(Cl)c(Cl)c1
InChIKey
NYIBPWGZGSXURD-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl3O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H

Weigh it out

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

Names and synonyms

4 names
  • Benzenesulfonyl chloride, 3,4-dichloro-
  • 3,4-Dichlorophenylsulfonyl chloride
  • NSC 2651
  • 3,4-Dichlorobenzene-1-sulfonyl chloride

Work with 3,4-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-Chloro-p-toluenesulfochloride42413-03-667 % similar 3-Chloro-4-fluorobenzenesulphonyl chloride91170-93-367 % similar 1,3-Benzenedisulfonyl dichloride585-47-762 % similar 4-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride32333-53-261 % similar 4-Chloro-3-nitrobenzenesulfonyl chloride97-08-557 % similar 4-Chlorobenzenesulfonyl chloride98-60-254 % similar 3-Chlorobenzenesulfonyl chloride2888-06-453 % similar 6-Chloronaphthalene-2-sulfonyl chloride102153-63-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dichlorobenzenesulfonyl chloride16271-33-3 2,5-Dichlorobenzenesulfonyl chloride5402-73-3 2,6-Dichlorobenzenesulfonylchloride6579-54-0 3,5-Dichlorobenzenesulfonyl chloride705-21-5 2,3-Dichlorobenzenesulfonyl chloride82417-45-6

Elsewhere

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