3,4-Difluorobenzyl bromide

C₇H₅BrF₂CAS 85118-01-0207.02 g/mol

Open in Covalent MOL file

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

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

85118-01-0

SMILES

Fc1ccc(CBr)cc1F

InChIKey

JJIFTOPVKWDHJI-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrF2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2

Weigh it out

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

Names and synonyms

4 names

Benzene, 4-(bromomethyl)-1,2-difluoro-
4-(Bromomethyl)-1,2-difluorobenzene
α-Bromo-3,4-difluorotoluene
1-Bromomethyl-3,4-difluorobenzene

Work with 3,4-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-4-(bromomethyl)-2-fluorobenzene127425-73-467 % similar 3-Bromo-4-fluorobenzyl bromide78239-71-167 % similar 3-Fluoro-4-methylbenzyl bromide145075-44-164 % similar 3-Chloro-4-fluorobenzyl bromide192702-01-564 % similar 4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-364 % similar 3-Fluoro-4-methoxybenzyl bromide331-61-363 % similar 4-(Bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene184970-26-160 % similar 4-(Bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene213203-65-760 % 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 2,5-Difluorobenzyl bromide85117-99-3

Elsewhere

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