Pentafluorobenzyl bromide
Properties
- Molecular formula
- C7H2BrF5
- Molar mass
- 260.99 g/mol
- Exact mass
- 259.9260 Da
- Melting point
- 87–89 °C
- Boiling point
- 174.5 °C
- logP
- 3.28Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Identifiers
CAS number
1765-40-8SMILES
Fc1c(F)c(F)c(CBr)c(F)c1FInChIKey
XDEPVFFKOVDUNO-UHFFFAOYSA-NInChI
InChI=1S/C7H2BrF5/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
13 names · show all
- Benzene, 1-(bromomethyl)-2,3,4,5,6-pentafluoro-
- Toluene, α-bromo-2,3,4,5,6-pentafluoro-
- Benzene, (bromomethyl)pentafluoro-
- 1-(Bromomethyl)-2,3,4,5,6-pentafluorobenzene
- α-Bromo-2,3,4,5,6-pentafluorotoluene
- (Bromomethyl)pentafluorobenzene
- (Pentafluorophenyl)methyl bromide
- 2,3,4,5,6-Pentafluorobenzyl bromide
- 1-(Bromomethyl)pentafluorobenzene
- 2,3,4,5,6-Pentafluoro-α-bromotoluene
- NSC 96888
- α-Bromo-pentafluorotoluene
- 2,3,4,5,6-Pentafluorophenylmethyl bromide
Work with Pentafluorobenzyl bromide
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
3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene53001-73-359 % similar
Hexakis(bromomethyl)benzene3095-73-650 % similar
Pentafluorobenzyl alcohol440-60-843 % similar
2,3,4,5,6-Pentafluorobenzyl chloride653-35-043 % similar
2,6-Difluorobenzyl bromide85118-00-942 % similar
2-(Bromomethyl)-4-chloro-1,3-difluorobenzene261762-47-441 % similar
3,4,5-Trifluorobenzyl bromide220141-72-040 % similar
Hexafluorobenzene392-56-340 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds