chempirical

2,3,4,5,6-Pentafluorobenzyl chloride

C7H2ClF5CAS 653-35-0216.54 g/mol

Open in Covalent MOL file
FFFClFF
Alkyl halideAryl halide

Properties

Molecular formula
C7H2ClF5
Molar mass
216.54 g/mol
Exact mass
215.9765 Da
Boiling point
160–163 °C
logP
3.12Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
653-35-0
SMILES
Fc1c(F)c(F)c(CCl)c(F)c1F
InChIKey
ZLNVRXFZTPRLIK-UHFFFAOYSA-N
InChI
InChI=1S/C7H2ClF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2

Weigh it out

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Names and synonyms

7 names
  • Benzene, 1-(chloromethyl)-2,3,4,5,6-pentafluoro-
  • Toluene, α-chloro-2,3,4,5,6-pentafluoro-
  • Benzene, (chloromethyl)pentafluoro-
  • 1-(Chloromethyl)-2,3,4,5,6-pentafluorobenzene
  • α-Chloro-2,3,4,5,6-pentafluorotoluene
  • Chloromethylpentafluorobenzene
  • (Pentafluorophenyl)methyl chloride

Work with 2,3,4,5,6-Pentafluorobenzyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Bis(chloromethyl)tetrafluorobenzene131803-37-793 % similar Pentafluorobenzyl bromide1765-40-843 % similar Pentafluorobenzyl alcohol440-60-843 % similar 2,6-Difluorobenzyl chloride697-73-442 % similar Hexafluorobenzene392-56-340 % similar 1,2,3,4,5-Pentafluoro-6-(2-propen-1-yl)benzene1736-60-338 % similar 2,3,4,5,6-Pentafluorobenzeneacetonitrile653-30-538 % similar Pentamethylbenzyl chloride484-65-136 % similar

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

Same formula

3-Chloro-4,5-difluorobenzotrifluoride77227-99-7

Elsewhere

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