2-Bromo-1,3,4-trifluorobenzene

C₆H₂BrF₃CAS 176793-04-7210.98 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₂BrF₃
Molar mass: 210.98 g/mol
Exact mass: 209.9292 Da
logP: 2.87Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H227 Combustible liquid16.7% of notifiers
H301 Toxic if swallowed16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

176793-04-7

SMILES

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

InChIKey

CNAXDCSHYHIOGW-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrF3/c7-5-3(8)1-2-4(9)6(5)10/h1-2H

Weigh it out

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

Names and synonyms

1 names

1-Bromo-2,3,6-trifluorobenzene

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

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

2,3-Dibromo-1,4-difluorobenzene179737-33-868 % similar 2-Bromo-3,4-difluoroaniline1092349-87-564 % similar 3-Bromo-1,2,4,5-tetrafluorobenzene1559-88-259 % similar 1,2,3,4-Tetrafluorobenzene551-62-258 % similar 2-Bromo-1,3-difluorobenzene64248-56-255 % similar 2-Bromo-3,4-difluorobenzoic acid170108-05-152 % similar 1-Bromo-2,3-difluorobenzene38573-88-548 % similar 1,2-Dibromo-3-fluoro-benzene811711-33-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2,3,5-trifluorobenzene133739-70-5 5-Bromo-1,2,3-trifluorobenzene138526-69-9 1-Bromo-2,3,4-trifluorobenzene176317-02-5 2-Bromo-1,3,5-trifluorobenzene2367-76-2 1-Bromo-2,4,5-trifluorobenzene327-52-6

Elsewhere

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