4-Bromo-2,6-difluorobenzotrifluoride

C7H2BrF5CAS 156243-64-0260.99 g/mol

Open in Covalent MOL file
FFFFFBr
Alkyl halideAryl halide

Properties

Molecular formula
C7H2BrF5
Molar mass
260.99 g/mol
Exact mass
259.9260 Da
logP
3.75Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number
156243-64-0
SMILES
C1=C(C=C(C(=C1F)C(F)(F)F)F)Br
InChIKey
QPJKIRNIIXIPIE-UHFFFAOYSA-N
InChI
InChI=1S/C7H2BrF5/c8-3-1-4(9)6(5(10)2-3)7(11,12)13/h1-2H

Weigh it out

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Names and synonyms

1 names
  • 3,5-Difluoro-4-(trifluoromethyl)bromobenzene

Work with 4-Bromo-2,6-difluorobenzotrifluoride

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

1,3,5-Trifluoro-2-(trifluoromethyl)benzene122030-04-060 % similar 3,5-Difluoro-4-(trifluoromethyl)benzenamine123950-44-756 % similar 4-Bromo-2-fluorobenzotrifluoride142808-15-955 % similar 4-Bromo-2-fluoro-6-(trifluoromethyl)benzenamine875664-46-355 % similar 1,4-Dibromo-3,5-difluorobenzene128259-71-252 % similar 5-Bromo-1,2,3-trifluorobenzene138526-69-952 % similar 1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-150 % similar 5-Bromo-2-fluorobenzotrifluoride393-37-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pentafluorobenzyl bromide1765-40-8

Elsewhere

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