1-Bromo-2-(bromomethyl)-4-fluorobenzene

C₇H₅Br₂FCAS 112399-50-5267.92 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₅Br₂F
Molar mass: 267.92 g/mol
Exact mass: 265.8742 Da
logP: 3.48Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H290 May be corrosive to metals12.5% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage12.5% of notifiers
H319 Causes serious eye irritation12.5% of notifiers
H335 May cause respiratory irritation12.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P337+P317, P363, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

112399-50-5

SMILES

C1=CC(=C(C=C1F)CBr)Br

InChIKey

CZLWYKAZAVYQIK-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Br2F/c8-4-5-3-6(10)1-2-7(5)9/h1-3H,4H2

Weigh it out

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

Names and synonyms

1 names

2-Bromo-5-fluorobenzyl bromide

Work with 1-Bromo-2-(bromomethyl)-4-fluorobenzene

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-5-fluorobenzenemethanol202865-66-563 % similar 2-Bromo-5-fluorobenzenemethanamine747392-34-363 % similar 2,5-Difluorobenzyl bromide85117-99-362 % similar 2-(Bromomethyl)-4-fluoro-1-methylbenzene261951-71-758 % similar 2-(Bromomethyl)-1-chloro-4-fluorobenzene81778-09-858 % similar 2,4-Difluorobenzyl bromide23915-07-357 % similar 1,2-Dibromo-4-fluorobenzene2369-37-156 % similar 2-Bromo-5-chlorobenzyl bromide66192-24-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-1-(bromomethyl)-3-fluorobenzene1184918-22-6 1-Bromo-4-(bromomethyl)-2-fluorobenzene127425-73-4 1-Bromo-3-(bromomethyl)-2-fluorobenzene149947-16-0 1-Bromo-3-(bromomethyl)-5-fluorobenzene216755-57-6 2-Bromo-1-(bromomethyl)-4-fluorobenzene61150-57-0 4-Bromo-2-fluorobenzyl bromide76283-09-5 3-Bromo-4-fluorobenzyl bromide78239-71-1

Elsewhere

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