4-Bromo-2-(trifluoromethoxy)benzene-1-sulfonyl chloride

C₇H₃BrClF₃O₃SCAS 175278-14-5339.51 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₃BrClF₃O₃S
Molar mass: 339.51 g/mol
Exact mass: 337.8627 Da
logP: 3.28Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage95.1% of notifiers

Aggregated from 41 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

175278-14-5

SMILES

C1=CC(=C(C=C1Br)OC(F)(F)F)S(=O)(=O)Cl

InChIKey

ZZCIRIWJHAZTIW-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrClF3O3S/c8-4-1-2-6(16(9,13)14)5(3-4)15-7(10,11)12/h1-3H

Weigh it out

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

Work with 4-Bromo-2-(trifluoromethoxy)benzene-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-(Trifluoromethoxy)benzene-1-sulfonyl chloride103008-51-162 % similar 4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride176225-10-859 % similar 4-Bromo-2-chlorobenzenesulfonyl chloride351003-52-656 % similar 4-Bromo-2-fluorobenzene-1-sulfonyl chloride216159-03-455 % similar 2,4-Dibromobenzenesulfonyl chloride72256-95-254 % similar 4-Bromo-2-methylbenzene-1-sulfonyl chloride139937-37-451 % similar 4-Bromo-2-(trifluoromethoxy)aniline175278-09-851 % similar 4-Bromo-2-(trifluoromethoxy)iodobenzene175278-12-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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