1-Bromo-3-(bromomethyl)-2-fluorobenzene

C₇H₅Br₂FCAS 149947-16-0267.92 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

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

149947-16-0

SMILES

Fc1c(Br)cccc1CBr

InChIKey

MGVHFTWDCYIBDO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzene, 1-bromo-3-(bromomethyl)-2-fluoro-
1-Bromo-3-bromomethyl-2-fluorobenzene

Work with 1-Bromo-3-(bromomethyl)-2-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

2,3-Difluorobenzyl bromide113211-94-267 % similar 3-Bromo-2-fluorobenzyl Alcohol261723-32-462 % similar 3-Chloro-2-fluorobenzyl bromide85070-47-962 % similar 2-Fluoro-3-methylbenzyl bromide151412-12-360 % similar 2-Bromobenzyl bromide3433-80-558 % similar 1-(Bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene184970-25-056 % similar 1-(Bromomethyl)-2,3,4-trifluorobenzene157911-55-250 % similar 1-Bromo-2,3-difluorobenzene38573-88-550 % 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)-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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