5-Bromo-2-fluoro-M-xylene

C₈H₈BrFCAS 99725-44-7203.05 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₈H₈BrF
Molar mass: 203.05 g/mol
Exact mass: 201.9793 Da
logP: 3.21Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H227 Combustible liquid12.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

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

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

99725-44-7

SMILES

CC1=CC(=CC(=C1F)C)Br

InChIKey

ZXPHUVHMBKRRJF-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BrF/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

1 names

5-Bromo-2-fluoro-1,3-dimethylbenzene

Work with 5-Bromo-2-fluoro-M-xylene

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

Mesityl fluoride392-69-857 % similar 5-Bromo-2-iodo-1,3-dimethylbenzene206559-43-554 % similar 4-Fluoro-3,5-dimethylaniline1840-27-352 % similar 4-Bromo-2,6-dimethylphenol2374-05-252 % similar 4-Bromo-2,6-dimethylbenzenamine24596-19-852 % similar 4-Bromo-1-fluoro-2-methylbenzene51437-00-452 % similar 5-Bromo-1,2,3-trifluorobenzene138526-69-950 % similar 5-Bromo-2-fluoro-3-methylpyridine29312-98-948 % 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 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

Elsewhere

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