3,5-Bis(trifluoromethyl)benzenesulphonyl chloride

C₈H₃ClF₆O₂SCAS 39234-86-1312.61 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₃ClF₆O₂S
Molar mass: 312.61 g/mol
Exact mass: 311.9446 Da
logP: 3.65Crippen 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

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

39234-86-1

SMILES

O=S(=O)(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

InChIKey

BTRCVKADYDVSLI-UHFFFAOYSA-N

InChI

InChI=1S/C8H3ClF6O2S/c9-18(16,17)6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H

Weigh it out

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

Names and synonyms

5 names

3,5-Bis(trifluoromethyl)benzenesulfonyl chloride
Benzenesulfonyl chloride, 3,5-bis(trifluoromethyl)-
3,5-Di(trifluoromethyl)benzenesulfonyl chloride
3,5-Bis(trifluoromethyl)benzene-1-sulfonyl chloride
3,5-Di(trifluoromethyl)benzene-1-sulfonyl chloride

Work with 3,5-Bis(trifluoromethyl)benzenesulphonyl 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

3-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride351003-46-874 % similar m-Trifluoromethylbenzenesulfonyl chloride777-44-668 % similar 4-(Trifluoromethyl)benzenesulfonyl chloride2991-42-666 % similar 2,6-Dichloro-4-(trifluoromethyl)benzenesulfonyl chloride175205-76-259 % similar 4-Fluoro-3-(trifluoromethyl)benzenesulfonyl Chloride1682-10-650 % similar 2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride175205-54-650 % similar 3,5-Difluorobenzenesulfonyl chloride210532-25-550 % similar 4-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride32333-53-250 % similar

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

Same formula

2,5-Bis(trifluoromethyl)benzenesulfonyl chloride351003-22-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook