2,5-Difluorobenzyl bromide

C7H5BrF2CAS 85117-99-3207.02 g/mol

Open in Covalent MOL file
FFBr
Alkyl halideAryl halide

Properties

Molecular formula
C7H5BrF2
Molar mass
207.02 g/mol
Exact mass
205.9543 Da
logP
2.86Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
85117-99-3
SMILES
Fc1ccc(F)c(CBr)c1
InChIKey
ONWGSWNHQZYCFK-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrF2/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 2-(bromomethyl)-1,4-difluoro-
  • 2-(Bromomethyl)-1,4-difluorobenzene
  • α-Bromo-2,5-difluorotoluene
  • 3,6-Difluorobenzyl bromide
  • 1-Bromomethyl-2,5-difluorobenzene

Work with 2,5-Difluorobenzyl 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-Bromo-2-(bromomethyl)-4-fluorobenzene112399-50-562 % similar 2-(Bromomethyl)-4-fluoro-1-methylbenzene261951-71-760 % similar 2-(Bromomethyl)-4-chloro-1-fluorobenzene71916-91-160 % similar 2-(Bromomethyl)-1-chloro-4-fluorobenzene81778-09-860 % similar 2,3,5-Trifluorobenzyl bromide226717-83-559 % similar 2,5-Difluorobenzyl chloride495-07-859 % similar 2,5-Difluorobenzenemethanol75853-20-259 % similar 2,5-Difluorobenzenemethanamine85118-06-559 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Difluorobenzyl bromide113211-94-2 3,5-Difluorobenzyl bromide141776-91-2 1-Bromo-2,4-difluoro-5-methylbenzene159277-47-1 5-Bromo-1,3-difluoro-2-methylbenzene179617-08-4 1-Bromo-2,4-difluoro-3-methylbenzene221220-97-9 2,4-Difluorobenzyl bromide23915-07-3 1-Bromo-4-difluoromethylbenzene51776-71-7 2,6-Difluorobenzyl bromide85118-00-9

Elsewhere

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