chempirical

3-Fluorobenzyl bromide

C7H6BrFCAS 456-41-7189.03 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
77 °C (at 12 Torr)
logP
2.72Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
456-41-7
SMILES
Fc1cccc(CBr)c1
InChIKey
SCBZBMXPJYMXRC-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 1-(bromomethyl)-3-fluoro-
  • Toluene, α-bromo-m-fluoro-
  • 1-(Bromomethyl)-3-fluorobenzene
  • m-Fluorobenzyl bromide
  • NSC 91494
  • (3-Fluorophenyl)methyl bromide
  • 3-(Bromomethyl)fluorobenzene
  • α-Bromo-3-fluorotoluene
  • 1-Fluoro-3-(bromomethyl)benzene

Work with 3-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

1,3-Bis(bromomethyl)benzene626-15-368 % similar 3-Fluorobenzylamine100-82-356 % similar 3-Fluorobenzyl chloride456-42-856 % similar 3-Fluorobenzyl alcohol456-47-356 % similar 3-Chlorobenzyl bromide766-80-356 % similar 3-Bromobenzyl bromide823-78-956 % similar 1-(Bromomethyl)-3-chloro-5-fluorobenzene493024-39-855 % similar 3-Methylbenzyl bromide620-13-354 % 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-Fluorobenzyl bromide446-48-0 2-Bromo-1-fluoro-4-methylbenzene452-62-0 2-Bromo-5-fluorotoluene452-63-1 4-Bromo-3-fluorotoluene452-74-4 4-Fluorobenzyl bromide459-46-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook