2-(Bromomethyl)-4-fluoro-1-methylbenzene

C₈H₈BrFCAS 261951-71-7203.05 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₈BrF
Molar mass: 203.05 g/mol
Exact mass: 201.9793 Da
logP: 3.03Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H290 May be corrosive to metals16.7% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage16.7% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 6 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

261951-71-7

SMILES

Cc1ccc(F)cc1CBr

InChIKey

DRIYGEORZARQGO-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BrF/c1-6-2-3-8(10)4-7(6)5-9/h2-4H,5H2,1H3

Weigh it out

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

Names and synonyms

3 names

Benzene, 2-(bromomethyl)-4-fluoro-1-methyl-
5-Fluoro-2-methylbenzyl bromide
2-Methyl-5-fluorobenzyl bromide

Work with 2-(Bromomethyl)-4-fluoro-1-methylbenzene

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

5-Fluoro-2-methylbenzenemethanamine261951-69-361 % similar 2,5-Difluorobenzyl bromide85117-99-360 % similar 1-Bromo-2-(bromomethyl)-4-fluorobenzene112399-50-558 % similar 2-(Bromomethyl)-1-chloro-4-fluorobenzene81778-09-856 % similar 5-Fluoro-2-methoxybenzyl bromide 97700381-18-656 % similar 2,4-Difluorobenzyl bromide23915-07-355 % similar 4-Fluoro-1,2-dimethylbenzene452-64-254 % similar 2-Bromo-1-(bromomethyl)-4-fluorobenzene61150-57-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-methylbenzyl bromide145075-44-1 2-Bromo-5-fluoro-1,3-dimethylbenzene14659-58-6 2-Fluoro-3-methylbenzyl bromide151412-12-3 3-Fluorophenethyl bromide25017-13-4 1-(2-Bromoethyl)-4-fluorobenzene332-42-3 1-Bromo-4-fluoro-2,3-dimethylbenzene52548-00-2 2-Fluorophenethyl bromide91319-54-9 5-Bromo-2-fluoro-M-xylene99725-44-7

Elsewhere

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