2,4-Difluorobenzyl bromide

C₇H₅BrF₂CAS 23915-07-3207.02 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

H226 Flammable liquid and vapor89.8% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H317 May cause an allergic skin reaction91.8% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled83.7% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P333+P317, P342+P316, P362+P364, P363, P370+P378, P403, P403+P235, P405, P501

Identifiers

CAS number

23915-07-3

SMILES

Fc1ccc(CBr)c(F)c1

InChIKey

IBLMYGXJKQIGSN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

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

Work with 2,4-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

2-Bromo-1-(bromomethyl)-4-fluorobenzene61150-57-062 % similar 4-Bromo-2-fluorobenzyl bromide76283-09-562 % similar 2-Chloro-4-fluorobenzyl bromide45767-66-660 % similar 4-Chloro-2-fluorobenzyl bromide71916-82-060 % similar 2,3,5-Trifluorobenzyl bromide226717-83-559 % similar 2,4-Difluorobenzyl chloride452-07-359 % similar 2,4-Difluorobenzenemethanol56456-47-459 % similar 2,4-Difluorobenzylamine72235-52-059 % 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 1-Bromo-4-difluoromethylbenzene51776-71-7 2,5-Difluorobenzyl bromide85117-99-3 2,6-Difluorobenzyl bromide85118-00-9

Elsewhere

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