1-Bromo-3,5-bis(trifluoromethyl)benzene

C8H3BrF6CAS 328-70-1293.01 g/mol

Open in Covalent MOL file
FFFBrFFF
Alkyl halideAryl halide

Properties

Molecular formula
C8H3BrF6
Molar mass
293.01 g/mol
Exact mass
291.9322 Da
Density
1.726 g/mL (at 25 °C)
Melting point
−16–15.5 °C
Boiling point
152 °C (at 740 Torr)
logP
4.49Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 22 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
328-70-1
SMILES
FC(F)(F)c1cc(Br)cc(C(F)(F)F)c1
InChIKey
CSVCVIHEBDJTCJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H3BrF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H

Weigh it out

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

Names and synonyms

12 names
  • Benzene, 1-bromo-3,5-bis(trifluoromethyl)-
  • m-Xylene, 5-bromo-α,α,α,α′,α′,α′-hexafluoro-
  • 5-Bromo-1,3-bis(trifluoromethyl)benzene
  • 3,5-Bis(trifluoromethyl)bromobenzene
  • 3,5-Bis(trifluoromethyl)phenyl bromide
  • 3,5-Bis(trifluoromethyl)-1-bromobenzene
  • 3,5-Bis(trifluoromethyl)monobromobenzene
  • NSC 88284
  • 3,5-Di(trifluoromethyl)bromobenzene
  • 1,3-Bis(trifluoromethyl)-5-bromobenzene
  • 1,3-Bis(trifluromethyl)-5-bromobenzene
  • 3,5-Trifluoromethyl-1-bromobenzene

Work with 1-Bromo-3,5-bis(trifluoromethyl)benzene

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-Dibromo-5-(trifluoromethyl)benzene401-84-389 % similar 3-Bromo-5-fluorobenzotrifluoride130723-13-671 % similar 3-Bromo-5-(trifluoromethyl)aniline54962-75-368 % similar 3-Bromo-5-(trifluoromethyl)toluene86845-28-568 % similar 1-Bromo-3-chloro-5-(trifluoromethyl)benzene928783-85-168 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-767 % similar 3-Bromo-5-(trifluoromethyl)benzaldehyde477535-41-461 % similar 1-Bromo-3-(trifluoromethyl)benzene401-78-560 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-1,3-bis(trifluoromethyl)benzene118527-30-3 1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-3 2,5-Bis(trifluoromethyl)bromobenzene7617-93-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook