1-Bromo-2,3,4-trifluorobenzene

C6H2BrF3CAS 176317-02-5210.98 g/mol

Open in Covalent MOL file
FFFBr
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 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
176317-02-5
SMILES
C1=CC(=C(C(=C1F)F)F)Br
InChIKey
MUUAQFJJUGVBGB-UHFFFAOYSA-N
InChI
InChI=1S/C6H2BrF3/c7-3-1-2-4(8)6(10)5(3)9/h1-2H

Weigh it out

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Names and synonyms

1 names
  • 2,3,4-Trifluorobromobenzene

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

1,4-Dibromo-2,3-difluorobenzene156682-52-974 % similar 1-Bromo-2,3-difluorobenzene38573-88-565 % similar 1,2,3,4-Tetrafluorobenzene551-62-263 % similar 1-Bromo-3-chloro-2,4-difluorobenzene201849-13-062 % similar 1-Bromo-2,4-difluoro-3-methylbenzene221220-97-962 % similar 1-Bromo-2,3,4,5-tetrafluorobenzene1074-91-558 % similar 6-Bromo-2,3-difluorobenzaldehyde360576-04-155 % similar 3-Bromo-2,6-difluorobenzaldehyde398456-82-155 % 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 2-Bromo-1,3,4-trifluorobenzene176793-04-7 2-Bromo-1,3,5-trifluorobenzene2367-76-2 1-Bromo-2,4,5-trifluorobenzene327-52-6

Elsewhere

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