3-Bromo-1,2,4,5-tetrafluorobenzene

C6HBrF4CAS 1559-88-2228.97 g/mol

Open in Covalent MOL file
FFFBrF
Aryl halide

Properties

Molecular formula
C6HBrF4
Molar mass
228.97 g/mol
Exact mass
227.9198 Da
Boiling point
145–147 °C
logP
3.01Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 49 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
1559-88-2
SMILES
Fc1cc(F)c(F)c(Br)c1F
InChIKey
YHAFCGSUIAFUCX-UHFFFAOYSA-N
InChI
InChI=1S/C6HBrF4/c7-4-5(10)2(8)1-3(9)6(4)11/h1H

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 3-bromo-1,2,4,5-tetrafluoro-
  • 2,3,5,6-Tetrafluorobromobenzene
  • 1-Bromo-2,3,5,6-tetrafluorobenzene
  • 1,2,4,5-Tetrafluoro-3-bromobenzene

Work with 3-Bromo-1,2,4,5-tetrafluorobenzene

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

2-Bromo-3,4,6-trifluoroaniline1481-21-667 % similar 2-Bromo-1,3,4-trifluorobenzene176793-04-759 % similar 1,4-Dibromo-2,3,5,6-tetrafluorobenzene344-03-659 % similar Pentafluorobenzene363-72-458 % similar Bromopentafluorobenzene344-04-756 % similar 2,2′,3,3′,5,5′,6,6′-Octafluoro-1,1′-biphenyl3883-86-155 % similar 5-Bromo-1,2,3-trifluorobenzene138526-69-955 % similar 3-Bromo-2,4,5-trifluorobenzoic acid104222-42-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2,3,4,5-tetrafluorobenzene1074-91-5

Elsewhere

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