4-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride

C₇H₃Cl₂F₃O₂SCAS 32333-53-2279.05 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃Cl₂F₃O₂S
Molar mass: 279.05 g/mol
Exact mass: 277.9183 Da
logP: 3.29Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H290 May be corrosive to metals14.3% of notifiers
H302 Harmful if swallowed14.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H335 May cause respiratory irritation14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

32333-53-2

SMILES

C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)Cl

InChIKey

SSULGNXFUGLULI-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl2F3O2S/c8-6-2-1-4(15(9,13)14)3-5(6)7(10,11)12/h1-3H

Weigh it out

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

Work with 4-Chloro-3-(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

4-Fluoro-3-(trifluoromethyl)benzenesulfonyl Chloride1682-10-667 % similar 4-Bromo-3-(trifluoromethyl)benzenesulfonyl chloride351003-47-965 % similar 3,4-Dichlorobenzenesulfonyl chloride98-31-761 % similar 4-Nitro-3-(trifluoromethyl)benzenesulfonyl chloride39234-83-857 % similar m-Trifluoromethylbenzenesulfonyl chloride777-44-657 % similar 4-(Trifluoromethyl)benzenesulfonyl chloride2991-42-654 % similar 3-Chloro-4-fluorobenzenesulphonyl chloride91170-93-354 % similar 1,4-Dichloro-2-(trifluoromethyl)benzene320-50-351 % similar

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

Same formula

2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride175205-54-6 2-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride54090-08-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook