1-Chloro-4-[(trifluoromethyl)thio]benzene

C7H4ClF3SCAS 407-16-9212.61 g/mol

Open in Covalent MOL file
FFFSCl
Alkyl halideAryl halideSulfide

Properties

Molecular formula
C7H4ClF3S
Molar mass
212.61 g/mol
Exact mass
211.9674 Da
Boiling point
173–174 °C
logP
3.95Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

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

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Identifiers

CAS number
407-16-9
SMILES
FC(F)(F)Sc1ccc(Cl)cc1
InChIKey
ATFBQTUDGRJCNB-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClF3S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H

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Names and synonyms

8 names
  • Benzene, 1-chloro-4-[(trifluoromethyl)thio]-
  • Sulfide, p-chlorophenyl trifluoromethyl
  • 1-Chloro-4-(trifluoromethylthio)benzene
  • 4-Chlorophenyl trifluoromethyl sulfide
  • p-Chlorophenyl trifluoromethyl sulfide
  • 4-Chlorophenyl trifluoromethyl thioether
  • (4-Chlorophenyl)(trifluoromethyl)sulfane
  • 1-Chloro-4-(trifluoromethylsulfanyl)benzene

Work with 1-Chloro-4-[(trifluoromethyl)thio]benzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

[(Trifluoromethyl)thio]benzene456-56-456 % similar 4-(Trifluoromethylthio)bromobenzene333-47-156 % similar 4-[(Trifluoromethyl)thio]benzenamine372-16-756 % similar 4-(Trifluoromethylthio)phenol461-84-756 % similar Bis(p-chlorophenyl)disulfide1142-19-450 % similar 4-(Trifluoromethylthio)benzylamine128273-56-350 % similar 1-(Bromomethyl)-4-[(trifluoromethyl)thio]benzene21101-63-350 % similar 1-Isocyanato-4-[(trifluoromethyl)sulfanyl]benzene24032-84-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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