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

C6HBrF4CAS 1074-91-5228.97 g/mol

Open in Covalent MOL file
FBrFFF
Aryl halide

Properties

Molecular formula
C6HBrF4
Molar mass
228.97 g/mol
Exact mass
227.9198 Da
Melting point
149–150 °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 40 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
1074-91-5
SMILES
Fc1cc(Br)c(F)c(F)c1F
InChIKey
BUYSIDPAOVWMQX-UHFFFAOYSA-N
InChI
InChI=1S/C6HBrF4/c7-2-1-3(8)5(10)6(11)4(2)9/h1H

Weigh it out

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Names and synonyms

2 names
  • Benzene, 1-bromo-2,3,4,5-tetrafluoro-
  • 2,3,4,5-Tetrafluorophenyl bromide

Work with 1-Bromo-2,3,4,5-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Bromo-2,3,4-trifluorobenzenamine122375-82-062 % similar 1-Bromo-2,3,5-trifluorobenzene133739-70-560 % similar Pentafluorobenzene363-72-460 % similar 1-Bromo-2,3,4-trifluorobenzene176317-02-558 % similar 1,4-Dibromo-2,5-difluorobenzene327-51-557 % similar 1,2-Dibromo-4,5-difluorobenzene64695-78-957 % similar 3-Bromo-4,5-difluorobenzenamine875664-41-856 % similar 1-Bromo-2,4,5-trifluorobenzene327-52-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-1,2,4,5-tetrafluorobenzene1559-88-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook