1-Bromo-3-(difluoromethyl)-5-fluorobenzene

C₇H₄BrF₃CAS 627526-90-3225.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₄BrF₃
Molar mass: 225.01 g/mol
Exact mass: 223.9448 Da
logP: 3.53Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

627526-90-3

SMILES

C1=C(C=C(C=C1F)Br)C(F)F

InChIKey

OPTDWHOFDCKSSE-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrF3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,7H

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Names and synonyms

1 names

1-Bromo-3-difluoromethyl-5-fluorobenzene

Work with 1-Bromo-3-(difluoromethyl)-5-fluorobenzene

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

1,3-Dibromo-5-fluorobenzene1435-51-458 % similar 1-Bromo-3,5-difluorobenzene461-96-158 % similar 3-Bromo-5-fluoroaniline134168-97-147 % similar 1-Bromo-3-fluoro-5-methylbenzene202865-83-647 % similar 1-Bromo-3-chloro-5-fluorobenzene33863-76-247 % similar 3-Bromo-5-fluorophenol433939-27-647 % similar 3-Fluoro-5-iodo bromobenzene845866-85-547 % similar 1-Bromo-4-difluoromethylbenzene51776-71-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,6-Trifluorobenzyl bromide151411-98-2 2,3,6-Trifluorobenzyl bromide151412-02-1 1-(Bromomethyl)-2,3,4-trifluorobenzene157911-55-2 2,4,5-Trifluorobenzyl bromide157911-56-3 3,4,5-Trifluorobenzyl bromide220141-72-0 2,3,5-Trifluorobenzyl bromide226717-83-5 1-Bromo-2-(trifluoromethyl)benzene392-83-6 1-Bromo-3-(trifluoromethyl)benzene401-78-5

Elsewhere

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