Pentafluorobenzyl bromide

C₇H₂BrF₅CAS 1765-40-8260.99 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage96.4% of notifiers
H319 Causes serious eye irritation12.7% of notifiers
H335 May cause respiratory irritation12.7% of notifiers

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, P501

Identifiers

CAS number

1765-40-8

SMILES

Fc1c(F)c(F)c(CBr)c(F)c1F

InChIKey

XDEPVFFKOVDUNO-UHFFFAOYSA-N

InChI

InChI=1S/C7H2BrF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2

Weigh 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

1-Bromomethyl-4-methyl-2,3,5,6-tetrafluorobenzene92814-00-167 % similar 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene53001-73-359 % similar 2,3,6-Trifluorobenzyl bromide151412-02-150 % similar Hexakis(bromomethyl)benzene3095-73-650 % similar Parylene F dimer1785-64-444 % similar Pentafluorobenzyl alcohol440-60-843 % similar (Chloromethyl)pentafluorobenzene653-35-043 % similar 2,3,4,5-Tetrafluorobenzyl bromide53001-71-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2,6-difluorobenzotrifluoride156243-64-0

Elsewhere

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