2,3-Dichlorobenzenesulfonyl chloride

C₆H₃Cl₃O₂SCAS 82417-45-6245.50 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃Cl₃O₂S
Molar mass: 245.50 g/mol
Exact mass: 243.8919 Da
logP: 2.92Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H228 Flammable solid82% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P405, P501

Identifiers

CAS number

82417-45-6

SMILES

O=S(=O)(Cl)c1cccc(Cl)c1Cl

InChIKey

PQODWTNHDKDHIW-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl3O2S/c7-4-2-1-3-5(6(4)8)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, 2,3-dichloro-
2,3-Dichlorobenzene-1-sulfonyl chloride
2,3-Dichlorophenylsulfonyl chloride

Work with 2,3-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

2,3,4-Trichlorobenzenesulfonyl chloride34732-09-771 % similar 2-Chlorobenzenesulfonyl chloride2905-23-970 % similar 3-Chloro-2-fluorobenzenesulfonyl chloride351003-48-061 % similar 3-Chloro-2-methylbenzenesulfonyl chloride80563-86-661 % similar 1,2-Benzenedisulfonyl dichloride6461-76-358 % similar 1,5-Naphthalenedisulfonyl chloride1928-01-457 % similar 2,4,5-Trichlorobenzenesulfonyl chloride15945-07-055 % similar 4-Bromo-2-chlorobenzenesulfonyl chloride351003-52-650 % 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 3,4-Dichlorobenzenesulfonyl chloride98-31-7

Elsewhere

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