chempirical

4-Bromo-2-methylbenzene-1-sulfonyl chloride

C7H6BrClO2SCAS 139937-37-4269.54 g/mol

Open in Covalent MOL file
BrSOOCl
Aryl halide

Properties

Molecular formula
C7H6BrClO2S
Molar mass
269.54 g/mol
Exact mass
267.8960 Da
logP
2.69Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number
139937-37-4
SMILES
CC1=C(C=CC(=C1)Br)S(=O)(=O)Cl
InChIKey
KNBSFUSBZNMAKU-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrClO2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,1H3

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Names and synonyms

1 names
  • 4-Bromo-2-methylbenzenesulfonyl chloride

Work with 4-Bromo-2-methylbenzene-1-sulfonyl 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-Dimethylbenzenesulfonyl chloride609-60-964 % similar 2,4-Dibromobenzenesulfonyl chloride72256-95-264 % similar 4-Bromo-2-chlorobenzenesulfonyl chloride351003-52-662 % similar 4-Bromo-2-fluorobenzene-1-sulfonyl chloride216159-03-460 % similar 4-Fluoro-2-methylbenzenesulfonyl chloride7079-48-360 % similar 2,5-Dibromobenzenesulfonyl chloride23886-64-859 % similar 4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride176225-10-855 % similar 5-Bromo-2-methoxybenzenesulfonyl chloride23095-05-855 % similar

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

Same formula

4-Bromo-3-methylbenzene-1-sulfonyl chloride72256-93-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook