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

C8H8BrFCAS 14659-58-6203.05 g/mol

Open in Covalent MOL file
FBr
Aryl halide

Properties

Molecular formula
C8H8BrF
Molar mass
203.05 g/mol
Exact mass
201.9793 Da
Boiling point
45–47 °C (at 5 Torr)
logP
3.21Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
14659-58-6
SMILES
Cc1cc(F)cc(C)c1Br
InChIKey
SIZYXYRNXJSAON-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrF/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,1-2H3

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Names and synonyms

4 names
  • Benzene, 2-bromo-5-fluoro-1,3-dimethyl-
  • m-Xylene, 2-bromo-5-fluoro-
  • 4-Fluoro-2,6-dimethylbromobenzene
  • 4-Bromo-1-fluoro-3,5-dimethylbenzene

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

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-Bromo-5-fluorotoluene452-63-158 % similar Mesityl bromide576-83-057 % similar 4-Fluoro-1,2-dimethylbenzene452-64-254 % similar 2-Bromo-1,3-dimethylbenzene576-22-752 % similar 4-Bromo-3,5-dimethylaniline59557-90-352 % similar 4-Bromo-3,5-dimethylphenol7463-51-652 % similar 2-Bromo-4-fluorotoluene1422-53-352 % similar 2-Bromo-4-fluoro-6-methylbenzenamine202865-77-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-methylbenzyl bromide145075-44-1 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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