1-Bromo-2,4,5-trifluorobenzene

C6H2BrF3CAS 327-52-6210.98 g/mol

Open in Covalent MOL file
FFBrF
Aryl halide

Properties

Molecular formula
C6H2BrF3
Molar mass
210.98 g/mol
Exact mass
209.9292 Da
Density
1.8022 g/mL (at 20 °C)
Melting point
−19 °C
Boiling point
144 °C
logP
2.87Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
327-52-6
SMILES
Fc1cc(F)c(Br)cc1F
InChIKey
DVTULTINXNWGJY-UHFFFAOYSA-N
InChI
InChI=1S/C6H2BrF3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1-bromo-2,4,5-trifluoro-
  • 2-Bromo-1,4,5-trifluorobenzene
  • 2,4,5-Trifluorophenyl bromide
  • 2,4,5-Trifluorobromobenzene

Work with 1-Bromo-2,4,5-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Dibromo-2,5-difluorobenzene327-51-588 % similar 1,5-Dibromo-2,4-difluorobenzene28342-75-882 % similar 1,2-Dibromo-4,5-difluorobenzene64695-78-976 % similar 4-Bromo-2,5-difluoroaniline112279-60-461 % similar 1-Bromo-2,4-difluoro-5-methylbenzene159277-47-161 % similar 5-Bromo-2,4-difluorophenol355423-48-261 % similar 5-Bromo-2,4-difluoroaniline452-92-661 % similar 4-Bromo-2,5-difluorophenol486424-36-661 % 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-1,3,4-trifluorobenzene176793-04-7 2-Bromo-1,3,5-trifluorobenzene2367-76-2

Elsewhere

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