2,5-Bis(trifluoromethyl)benzenesulfonyl chloride

C8H3ClF6O2SCAS 351003-22-0312.61 g/mol

Open in Covalent MOL file
OSOClFFFFFF
Alkyl halide

Properties

Molecular formula
C8H3ClF6O2S
Molar mass
312.61 g/mol
Exact mass
311.9446 Da
logP
3.65Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 46 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
351003-22-0
SMILES
O=S(=O)(Cl)c1cc(C(F)(F)F)ccc1C(F)(F)F
InChIKey
KMEJLLXSUGLEDJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H3ClF6O2S/c9-18(16,17)6-3-4(7(10,11)12)1-2-5(6)8(13,14)15/h1-3H

Weigh it out

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

Names and synonyms

2 names
  • Benzenesulfonyl chloride, 2,5-bis(trifluoromethyl)-
  • 2,5-Bis(trifluoromethyl)benzene-1-sulfonyl chloride

Work with 2,5-Bis(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-5-(trifluoromethyl)benzenesulfonyl chloride54090-08-371 % similar 2-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride176225-08-469 % similar 2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride175205-54-666 % similar 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride54403-98-464 % similar 2-Trifluoromethylbenzenesulphonyl chloride776-04-564 % similar 4-(Trifluoromethyl)benzenesulfonyl chloride2991-42-658 % similar 4-Fluoro-2-(trifluoromethyl)-benzenesulfonyl chloride176225-09-557 % similar 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride837-95-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Bis(trifluoromethyl)benzenesulphonyl chloride39234-86-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook