1-Bromo-3-(bromomethyl)-5-fluorobenzene

C₇H₅Br₂FCAS 216755-57-6267.92 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 metals50% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501

Identifiers

CAS number

216755-57-6

SMILES

Fc1cc(Br)cc(CBr)c1

InChIKey

DAUWIPUGOIFZNF-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzene, 1-bromo-3-(bromomethyl)-5-fluoro-
3-Bromo-5-fluorobenzyl bromide
3-Bromo-1-(bromomethyl)-5-fluorobenzene
3-Fluoro-5-bromobenzyl bromide

Work with 1-Bromo-3-(bromomethyl)-5-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

3,5-Difluorobenzyl bromide141776-91-271 % similar 3,5-Dibromobenzyl bromide56908-88-467 % similar (3-Bromo-5-fluorophenyl)methanol216755-56-562 % similar 1,3-Dibromo-5-fluorobenzene1435-51-458 % similar 1-Bromo-3,5-difluorobenzene461-96-158 % similar 1-(Bromomethyl)-3-chloro-5-fluorobenzene493024-39-857 % similar 3-Fluoro-5-(trifluoromethyl)benzyl bromide239087-09-353 % similar 3-Fluorobenzyl bromide456-41-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2-(bromomethyl)-4-fluorobenzene112399-50-5 2-Bromo-1-(bromomethyl)-3-fluorobenzene1184918-22-6 1-Bromo-4-(bromomethyl)-2-fluorobenzene127425-73-4 1-Bromo-3-(bromomethyl)-2-fluorobenzene149947-16-0 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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