2,6-Dichloro-4-(trifluoromethyl)benzenesulfonyl chloride

C₇H₂Cl₃F₃O₂SCAS 175205-76-2313.50 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₂Cl₃F₃O₂S
Molar mass: 313.50 g/mol
Exact mass: 311.8793 Da
logP: 3.94Crippen 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
H319 Causes serious eye irritation16.7% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, P501

Identifiers

CAS number

175205-76-2

SMILES

O=S(=O)(Cl)c1c(Cl)cc(C(F)(F)F)cc1Cl

InChIKey

MRGIKDMKHORAMU-UHFFFAOYSA-N

InChI

InChI=1S/C7H2Cl3F3O2S/c8-4-1-3(7(11,12)13)2-5(9)6(4)16(10,14)15/h1-2H

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

Names and synonyms

4 names

Benzenesulfonyl chloride, 2,6-dichloro-4-(trifluoromethyl)-
2,6-Dichloro-4-trifluoromethylbenzenesulfonyl chloride
2,6-Dichloro-4-(trifluoromethyl)phenylsulfonyl chloride
2,6-Dichloro-4-(trifluoromethyl)benzene-1-sulfonyl chloride

Work with 2,6-Dichloro-4-(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

Similar compounds

2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride175205-54-663 % similar 3,5-Bis(trifluoromethyl)benzenesulphonyl chloride39234-86-159 % similar 2-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride54090-08-358 % similar 2,4,6-Trichlorobenzenesulfonyl chloride51527-73-258 % similar 2,6-Dichlorobenzenesulfonylchloride6579-54-057 % similar 4-Bromo-2,6-dichlorobenzene-1-sulfonyl chloride351003-54-855 % similar m-Trifluoromethylbenzenesulfonyl chloride777-44-653 % similar 3,4,5-Trichlorobenzotrifluoride50594-82-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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