2,4,6-Trichlorobenzenesulfonyl chloride

C₆H₂Cl₄O₂SCAS 51527-73-2279.94 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂Cl₄O₂S
Molar mass: 279.94 g/mol
Exact mass: 277.8530 Da
logP: 3.57Crippen 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

Aggregated from 46 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

51527-73-2

SMILES

C1=C(C=C(C(=C1Cl)S(=O)(=O)Cl)Cl)Cl

InChIKey

WHJAQKAAIOHCGN-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Cl4O2S/c7-3-1-4(8)6(5(9)2-3)13(10,11)12/h1-2H

Weigh it out

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

Work with 2,4,6-Trichlorobenzenesulfonyl 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

2,6-Dichlorobenzenesulfonylchloride6579-54-068 % similar 4-Bromo-2,6-dichlorobenzene-1-sulfonyl chloride351003-54-864 % similar 2,6-Dichloro-4-(trifluoromethyl)benzenesulfonyl chloride175205-76-258 % similar 2,4-Dichlorobenzenesulfonyl chloride16271-33-357 % similar 3,5-Dichlorobenzenesulfonyl chloride705-21-556 % similar 2,5-Dichlorobenzenesulfonyl chloride5402-73-352 % similar 2-Chlorobenzenesulfonyl chloride2905-23-947 % similar 3-Chlorobenzenesulfonyl chloride2888-06-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,5-Trichlorobenzenesulfonyl chloride15945-07-0 2,3,4-Trichlorobenzenesulfonyl chloride34732-09-7

Elsewhere

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