2,4,5-Trichlorobenzenesulfonyl chloride

C₆H₂Cl₄O₂SCAS 15945-07-0279.94 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂Cl₄O₂S
Molar mass: 279.94 g/mol
Exact mass: 277.8530 Da
Melting point: 65–67 °C
Boiling point: 138 °C (at 0.5 Torr)
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 45 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

15945-07-0

SMILES

O=S(=O)(Cl)c1cc(Cl)c(Cl)cc1Cl

InChIKey

WNVVRCKTQSCPAC-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzenesulfonyl chloride, 2,4,5-trichloro-
2,4,5-Trichlorophenylsulfonyl chloride
NSC 26958
2,4,5-Trichlorobenzene-1-sulfonyl chloride

Work with 2,4,5-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

2,4-Dichloro-5-methylbenzenesulfonyl chloride28286-86-470 % similar 4-Amino-6-chlorobenzene-1,3-di(sulphonyl chloride)671-89-664 % similar 2-Chloro-4,5-difluorobenzenesulfonyl chloride67475-58-564 % similar 4-Chloro-2,5-dimethylbenzenesulfonyl chloride88-49-362 % similar 2-Chlorobenzenesulfonyl chloride2905-23-959 % similar 2,4-Dichlorobenzenesulfonyl chloride16271-33-359 % similar 2,5-Dichlorobenzenesulfonyl chloride5402-73-359 % similar 5-Chloro-2,4-difluorobenzenesulfonyl chloride13656-57-057 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,3,4-Trichlorobenzenesulfonyl chloride34732-09-7 2,4,6-Trichlorobenzenesulfonyl chloride51527-73-2

Elsewhere

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