1,4-Dibromo-2,5-difluorobenzene

C₆H₂Br₂F₂CAS 327-51-5271.89 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂Br₂F₂
Molar mass: 271.89 g/mol
Exact mass: 269.8491 Da
Melting point: 64.5–65.5 °C
Boiling point: 96 °C (at 20 Torr)
logP: 3.49Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation96% of notifiers

Aggregated from 50 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

327-51-5

SMILES

Fc1cc(Br)c(F)cc1Br

InChIKey

GLVMLJCMUBZVTJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Br2F2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H

Weigh it out

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

Names and synonyms

3 names

Benzene, 1,4-dibromo-2,5-difluoro-
2,5-Dibromo-1,4-difluorobenzene
2,5-Difluoro-1,4-dibromobenzene

Work with 1,4-Dibromo-2,5-difluorobenzene

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-Bromo-2,4,5-trifluorobenzene327-52-688 % similar 4-Bromo-2,5-difluoroaniline112279-60-467 % similar 4-Bromo-2,5-difluorophenol486424-36-667 % similar 1-Bromo-2,4-difluoro-5-methylbenzene159277-47-159 % similar 5-Bromo-2,4-difluorophenol355423-48-259 % similar 5-Bromo-2,4-difluoroaniline452-92-659 % similar 4-Bromo-2,5-difluorobenzonitrile133541-45-458 % similar 1-Bromo-2,5-difluoro-4-methoxybenzene202865-60-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,2-Dibromo-3,5-difluorobenzene10105-60-9 1,3-Dibromo-2,5-difluorobenzene128259-68-7 1,4-Dibromo-3,5-difluorobenzene128259-71-2 1,2-Dibromo-3,5-difluorobenzene139215-43-3 1,4-Dibromo-2,3-difluorobenzene156682-52-9 2,3-Dibromo-1,4-difluorobenzene179737-33-8 1,5-Dibromo-2,4-difluorobenzene28342-75-8 1,2-Dibromo-4,5-difluorobenzene64695-78-9

Elsewhere

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