2-Bromobenzenesulphonyl chloride

C₆H₄BrClO₂SCAS 2905-25-1255.51 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 damage83.7% of notifiers

Aggregated from 49 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

2905-25-1

SMILES

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

InChIKey

VFPWGZNNRSQPBT-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrClO2S/c7-5-3-1-2-4-6(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

2-Bromobenzenesulfonyl chloride

Work with 2-Bromobenzenesulphonyl 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

1,2-Benzenedisulfonyl dichloride6461-76-370 % similar 2,5-Dibromobenzenesulfonyl chloride23886-64-860 % similar 2,4-Dibromobenzenesulfonyl chloride72256-95-260 % similar 2-Chlorobenzenesulfonyl chloride2905-23-957 % similar 2-Bromo-4-fluorobenzene-1-sulfonyl chloride351003-45-756 % similar 1,5-Naphthalenedisulfonyl chloride1928-01-456 % similar 2-Methylbenzenesulfonyl chloride133-59-555 % similar 2-Fluorobenzenesulfonyl chloride2905-21-755 % similar

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

Same formula

3-Bromobenzenesulfonyl chloride2905-24-0 4-Bromobenzenesulfonyl chloride98-58-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook