(Chloromethyl)pentafluorobenzene
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
Hazards
Danger
- H227 Combustible liquid14.3% of notifiers
- H302 Harmful if swallowed85.7% of notifiers
- H312 Harmful in contact with skin85.7% of notifiers
- H314 Causes severe skin burns and eye damage85.7% of notifiers
- H315 Causes skin irritation14.3% of notifiers
- H319 Causes serious eye irritation14.3% of notifiers
- H332 Harmful if inhaled85.7% of notifiers
- H335 May cause respiratory irritation14.3% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, P501
Identifiers
CAS number
653-35-0SMILES
Fc1c(F)c(F)c(CCl)c(F)c1FInChIKey
ZLNVRXFZTPRLIK-UHFFFAOYSA-NInChI
InChI=1S/C7H2ClF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 2,3,4,5,6-Pentafluorobenzyl chloride
- 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 (Chloromethyl)pentafluorobenzene
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
Parylene F dimer1785-64-444 % similar
Pentafluorobenzyl bromide1765-40-843 % similar
Pentafluorobenzyl alcohol440-60-843 % similar
2,6-Difluorobenzyl chloride697-73-442 % similar
Hexafluorobenzene392-56-340 % similar
2,3,5,6-Tetrafluoro-1,4-benzenedimethanol92339-07-638 % similar
1,2,3,4,5-Pentafluoro-6-(2-propen-1-yl)benzene1736-60-338 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds