2,5-Dibromobenzenesulfonyl chloride

C₆H₃Br₂ClO₂SCAS 23886-64-8334.41 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃Br₂ClO₂S
Molar mass: 334.41 g/mol
Exact mass: 331.7909 Da
logP: 3.14Crippen 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 48 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

23886-64-8

SMILES

C1=CC(=C(C=C1Br)S(=O)(=O)Cl)Br

InChIKey

ZLMPLIWURYRGEB-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Br2ClO2S/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.

Work with 2,5-Dibromobenzenesulfonyl 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

4-Bromo-2-chlorobenzenesulfonyl chloride351003-52-666 % similar 4-Bromo-2-fluorobenzene-1-sulfonyl chloride216159-03-464 % similar 2-Bromobenzenesulphonyl chloride2905-25-160 % similar 4-Bromo-2-methylbenzene-1-sulfonyl chloride139937-37-459 % similar 2-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride176225-08-458 % similar 5-Bromo-2-methoxybenzenesulfonyl chloride23095-05-858 % similar 4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride176225-10-854 % similar 4-Bromobenzenesulfonyl chloride98-58-852 % similar

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

Same formula

2,4-Dibromobenzenesulfonyl chloride72256-95-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook