1-Bromo-2,4,5-trifluorobenzene

C₆H₂BrF₃CAS 327-52-6210.98 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

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 1,2-Dibromo-4,5-difluorobenzene64695-78-976 % similar 4-Bromo-2,5-difluoroaniline112279-60-461 % similar 4-Bromo-2,5-difluorophenol486424-36-661 % similar 2-Bromo-4,5-difluorophenol166281-37-457 % similar 1-Bromo-4,5-difluoro-2-methylbenzene875664-38-357 % similar 1,2,4,5-Tetrafluorobenzene327-54-856 % similar 1-Bromo-2,5-difluoro-4-methoxybenzene202865-60-954 % 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-1,3,5-trifluorobenzene2367-76-2

Elsewhere

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