3-Fluoro-4-methylbenzyl bromide

C₈H₈BrFCAS 145075-44-1203.05 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

H302 Harmful if swallowed28.6% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation28.6% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number

145075-44-1

SMILES

CC1=C(C=C(C=C1)CBr)F

InChIKey

YOACSNDETIDTAY-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-Fluoro-4-methylbenzyl 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

3,4-Difluorobenzyl bromide85118-01-064 % similar 3-Fluoro-4-methylbenzyl alcohol192702-79-761 % similar 3-Fluoro-4-methylbenzenemethanamine261951-67-161 % similar 1-Bromo-4-(bromomethyl)-2-fluorobenzene127425-73-458 % similar 4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-356 % similar 3-Fluoro-4-methoxybenzyl bromide331-61-356 % similar 3-Bromo-4-fluorobenzyl bromide78239-71-153 % similar 4-(Bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene213203-65-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-5-fluoro-1,3-dimethylbenzene14659-58-6 2-Fluoro-3-methylbenzyl bromide151412-12-3 3-Fluorophenethyl bromide25017-13-4 2-(Bromomethyl)-4-fluoro-1-methylbenzene261951-71-7 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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