4-Fluorobenzyl bromide

C₇H₆BrFCAS 459-46-1189.03 g/mol

Open in Covalent MOL file

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

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 1,1′-Methylenebis[4-fluorobenzene]457-68-157 % similar 4-Fluorobenzyl chloride352-11-452 % similar 4-Bromobenzyl bromide589-15-152 % similar Benzyl bromide100-39-050 % similar 4-Methylbenzyl bromide104-81-450 % similar 4-Fluorobenzylamine140-75-050 % similar 4-Fluorobenzenemethanethiol15894-04-950 % 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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