3-Bromobenzenesulfonyl chloride

C₆H₄BrClO₂SCAS 2905-24-0255.51 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄BrClO₂S
Molar mass: 255.51 g/mol
Exact mass: 253.8804 Da
logP: 2.38Crippen 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 damage81.2% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

2905-24-0

SMILES

C1=CC(=CC(=C1)Br)S(=O)(=O)Cl

InChIKey

PJGOLCXVWIYXRQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrClO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H

Weigh it out

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

Names and synonyms

1 names

m-Bromobenzenesulphonyl chloride

Work with 3-Bromobenzenesulfonyl 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

1,3-Benzenedisulfonyl dichloride585-47-769 % similar 3-Chlorobenzenesulfonyl chloride2888-06-460 % similar 3-Fluorobenzenesulfonyl chloride701-27-958 % similar M-Toluenesulfonyl chloride1899-93-056 % similar 3-Bromophenylmethylsulfone34896-80-556 % similar 3-Bromobenzene-1-sulfonamide89599-01-956 % similar 3-(Methylsulfonyl)benzenesulfonyl chloride5335-40-055 % similar 5-Bromopyridine-3-sulfonyl chloride65001-21-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromobenzenesulphonyl chloride2905-25-1 4-Bromobenzenesulfonyl chloride98-58-8

Elsewhere

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