1-Bromo-4-(trifluoromethyl)benzene

C7H4BrF3CAS 402-43-7225.01 g/mol

Open in Covalent MOL file
FFFBr
Alkyl halideAryl halide

Properties

Molecular formula
C7H4BrF3
Molar mass
225.01 g/mol
Exact mass
223.9448 Da
Density
1.607 g/mL (at 25 °C)
Boiling point
160 °C
logP
3.47Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 52 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
402-43-7
SMILES
FC(F)(F)c1ccc(Br)cc1
InChIKey
XLQSXGGDTHANLN-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

Weigh it out

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Names and synonyms

16 names · show all
  • Benzene, 1-bromo-4-(trifluoromethyl)-
  • Toluene, p-bromo-α,α,α-trifluoro-
  • p-(Trifluoromethyl)bromobenzene
  • p-Bromobenzotrifluoride
  • 4-(Trifluoromethyl)bromobenzene
  • p-Bromo-α,α,α-trifluorotoluene
  • 4-Bromobenzotrifluoride
  • 4-Bromo-1-(trifluoromethyl)benzene
  • p-(Trifluoromethyl)phenyl bromide
  • p-Bromo(trifluoromethyl)benzene
  • 4-(Trifluoromethyl)phenyl bromide
  • 4-Bromo(trifluoromethyl)benzene
  • 4-Bromo-α,α,α-trifluorotoluene
  • 4-Trifluoromethyl-1-bromobenzene
  • 4-Trifluoromethane-1-bromobenzene
  • 4-Bromobenzyltrifluoride

Work with 1-Bromo-4-(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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Bis(trifluoromethyl)benzene433-19-267 % similar Tetrakis(4-bromophenyl)methane105309-59-957 % similar 1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-157 % similar 1,3-Dibromo-5-(trifluoromethyl)benzene401-84-357 % similar 4-(Trifluoromethyl)phenol402-45-957 % similar 1-Bromo-4-(1,1-difluoroethyl)benzene1000994-95-556 % similar 4-Fluorobenzotrifluoride402-44-852 % similar 1,4-Dibromobenzene106-37-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,6-Trifluorobenzyl bromide151411-98-2 2,3,6-Trifluorobenzyl bromide151412-02-1 1-(Bromomethyl)-2,3,4-trifluorobenzene157911-55-2 2,4,5-Trifluorobenzyl bromide157911-56-3 3,4,5-Trifluorobenzyl bromide220141-72-0 2,3,5-Trifluorobenzyl bromide226717-83-5 1-Bromo-2-(trifluoromethyl)benzene392-83-6 1-Bromo-3-(trifluoromethyl)benzene401-78-5

Elsewhere

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