4-Fluorobenzyl bromide

C7H6BrFCAS 459-46-1189.03 g/mol

Open in Covalent MOL file
FBr
Alkyl halideAryl halide

Properties

Molecular formula
C7H6BrF
Molar mass
189.03 g/mol
Exact mass
187.9637 Da
Boiling point
85 °C (at 16 Torr)
logP
2.72Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 82 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number
459-46-1
SMILES
Fc1ccc(CBr)cc1
InChIKey
NVNPLEPBDPJYRZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Benzene, 1-(bromomethyl)-4-fluoro-
  • Toluene, α-bromo-p-fluoro-
  • 1-(Bromomethyl)-4-fluorobenzene
  • p-Fluorobenzyl bromide
  • α-Bromo-p-fluorotoluene
  • α-Bromo-4-fluorotoluene
  • 1-Fluoro-4-(bromomethyl)benzene

Work with 4-Fluorobenzyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Bis(bromomethyl)benzene623-24-567 % similar 1-(2-Bromoethyl)-4-fluorobenzene332-42-361 % similar 1,1′-Methylenebis[4-fluorobenzene]457-68-157 % similar 3,5-Difluorobenzyl bromide141776-91-257 % similar 4-Fluorobenzyl chloride352-11-452 % similar 4-Bromobenzyl bromide589-15-152 % similar Benzyl bromide100-39-050 % similar 4-Methylbenzyl bromide104-81-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-4-fluorotoluene1422-53-3 1-Bromo-3-fluoro-2-methylbenzene1422-54-4 1-Bromo-3-fluoro-5-methylbenzene202865-83-6 2-Fluorobenzyl bromide446-48-0 2-Bromo-1-fluoro-4-methylbenzene452-62-0 2-Bromo-5-fluorotoluene452-63-1 4-Bromo-3-fluorotoluene452-74-4 3-Fluorobenzyl bromide456-41-7

Elsewhere

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