chempirical

2-Fluorobenzyl bromide

C7H6BrFCAS 446-48-0189.03 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
84–85 °C (at 16 Torr)
logP
2.72Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
446-48-0
SMILES
Fc1ccccc1CBr
InChIKey
FFWQLZFIMNTUCZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrF/c8-5-6-3-1-2-4-7(6)9/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)-2-fluoro-
  • Toluene, α-bromo-o-fluoro-
  • 1-(Bromomethyl)-2-fluorobenzene
  • α-Bromo-2-fluorotoluene
  • o-Fluorobenzyl bromide
  • 2-(Bromomethyl)fluorobenzene
  • 1-Fluoro-2-(bromomethyl)benzene

Work with 2-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

2,3-Difluorobenzyl bromide113211-94-268 % similar 2-Bromo-1-(bromomethyl)-3-fluorobenzene1184918-22-663 % similar 2,6-Difluorobenzyl bromide85118-00-956 % similar 2-Fluorobenzyl chloride345-35-754 % similar 2-Fluorobenzyl alcohol446-51-554 % similar 2-Fluorobenzylamine89-99-654 % similar 2,4-Difluorobenzyl bromide23915-07-354 % similar 2,5-Difluorobenzyl bromide85117-99-354 % 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-Bromo-1-fluoro-4-methylbenzene452-62-0 2-Bromo-5-fluorotoluene452-63-1 4-Bromo-3-fluorotoluene452-74-4 3-Fluorobenzyl bromide456-41-7 4-Fluorobenzyl bromide459-46-1

Elsewhere

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