2,5-Dichlorobenzenesulfonyl chloride

C₆H₃Cl₃O₂SCAS 5402-73-3245.50 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₃Cl₃O₂S
Molar mass: 245.50 g/mol
Exact mass: 243.8919 Da
Melting point: 39 °C
logP: 2.92Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage87.2% of notifiers
H335 May cause respiratory irritation85.1% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

5402-73-3

SMILES

O=S(=O)(Cl)c1cc(Cl)ccc1Cl

InChIKey

BXCOSWRSIISQSL-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl3O2S/c7-4-1-2-5(8)6(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

4 names

Benzenesulfonyl chloride, 2,5-dichloro-
2,5-Dichlorophenylsulfonyl chloride
NSC 8545
2,5-Dichlorobenzene-1-sulfonyl chloride

Work with 2,5-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

5-Chloro-2-fluorobenzenesulfonyl chloride351003-49-163 % similar 2-Chlorobenzenesulfonyl chloride2905-23-962 % similar 2,4,5-Trichlorobenzenesulfonyl chloride15945-07-059 % similar 4-Chloro-2-fluorobenzene-1-sulfonyl chloride141337-26-058 % similar 5-Chloro-2-methoxybenzenesulfonyl chloride22952-32-557 % similar 2-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride54090-08-357 % similar 4-Chloro-3-(chlorosulphonyl)benzoic acid2494-79-354 % similar 2-Chloro-5-nitrobenzenesulfonyl chloride4533-95-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dichlorobenzenesulfonyl chloride16271-33-3 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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