chempirical

2-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride

C7H3Cl2F3O2SCAS 54090-08-3279.05 g/mol

Open in Covalent MOL file
FFFSOOClCl
Alkyl halideAryl 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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
54090-08-3
SMILES
C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)Cl)Cl
InChIKey
ZEYKLMDPUOVUCR-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl2F3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H

Weigh it out

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

Names and synonyms

1 names
  • 2-Chloro-5-(trifluoromethyl)benzene-1-sulfonyl chloride

Work with 2-Chloro-5-(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

2,5-Bis(trifluoromethyl)benzenesulfonyl chloride351003-22-071 % similar 2-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride176225-08-465 % similar 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride54403-98-461 % similar 2,6-Dichloro-4-(trifluoromethyl)benzenesulfonyl chloride175205-76-258 % similar 2,5-Dichlorobenzenesulfonyl chloride5402-73-357 % similar m-Trifluoromethylbenzenesulfonyl chloride777-44-657 % similar 3,4-Dichlorobenzotrifluoride328-84-755 % similar 4-(Trifluoromethyl)benzenesulfonyl chloride2991-42-654 % similar

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

Same formula

2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride175205-54-6 4-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride32333-53-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook