1-Bromo-4-fluoro-2,3-dimethylbenzene

C₈H₈BrFCAS 52548-00-2203.05 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

H302 Harmful if swallowed28.6% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation42.9% of notifiers

Aggregated from 7 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

52548-00-2

SMILES

CC1=C(C=CC(=C1C)Br)F

InChIKey

OYWLDZXWISLBMC-UHFFFAOYSA-N

InChI

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

Weigh it out

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Names and synonyms

1 names

1-Bromo-2,3-dimethyl-4-fluorobenzene

Work with 1-Bromo-4-fluoro-2,3-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

1-Bromo-2,4-difluoro-3-methylbenzene221220-97-969 % similar 1-Bromo-3-fluoro-2-methylbenzene1422-54-468 % similar 1,4-Dibromo-2,3-dimethylbenzene75024-22-567 % similar 1-Bromo-2-chloro-4-fluoro-3-methylbenzene203302-92-564 % similar 2-Bromo-1-fluoro-4-methylbenzene452-62-054 % similar 4-Bromo-3-fluorotoluene452-74-454 % similar 2,6-Dibromotoluene69321-60-450 % similar 1-Bromo-2,3,4-trifluorobenzene176317-02-548 % 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 2-Fluorophenethyl bromide91319-54-9 5-Bromo-2-fluoro-M-xylene99725-44-7

Elsewhere

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