2-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride

C₇H₃BrClF₃O₂SCAS 176225-08-4323.51 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃BrClF₃O₂S
Molar mass: 323.51 g/mol
Exact mass: 321.8678 Da
logP: 3.40Crippen 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 damage84.8% of notifiers

Aggregated from 46 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

176225-08-4

SMILES

C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)Cl)Br

InChIKey

CBIFOAHDKKGDAC-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrClF3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H

Weigh it out

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

Names and synonyms

1 names

2-Bromo-5-(trifluoromethyl)benzene-1-sulfonyl chloride

Work with 2-Bromo-5-(trifluoromethyl)benzenesulfonyl 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

Same formula

4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride176225-10-8 3-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride351003-46-8 4-Bromo-3-(trifluoromethyl)benzenesulfonyl chloride351003-47-9 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride54403-98-4

Elsewhere

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