chempirical

1-Bromo-3-(trifluoromethyl)benzene

C7H4BrF3CAS 401-78-5225.01 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
1.6371 g/mL (at 25 °C)
Melting point
1 °C
Boiling point
151.5 °C
logP
3.47Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
401-78-5
SMILES
FC(F)(F)c1cccc(Br)c1
InChIKey
NNMBNYHMJRJUBC-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H

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

Names and synonyms

18 names · show all
  • Benzene, 1-bromo-3-(trifluoromethyl)-
  • Toluene, m-bromo-α,α,α-trifluoro-
  • m-(Trifluoromethyl)bromobenzene
  • m-Bromobenzotrifluoride
  • 3-Bromobenzotrifluoride
  • m-Bromo(trifluoromethyl)benzene
  • m-Bromo-α,α,α-trifluorotoluene
  • 3-Bromobenzyltrifluoride
  • 3-(Trifluoromethyl)bromobenzene
  • 3-(Trifluoromethyl)phenyl bromide
  • m-(Trifluoromethyl)phenyl bromide
  • α,α,α-Trifluoro-m-tolyl bromide
  • 3-Bromotrifluoromethylbenzene
  • 2-Bromo-4-trifluoromethylbenzene
  • NSC 9468
  • 3-(Trifluoromethyl)-1-bromobenzene
  • 3-Bromo-1-trifluoromethylbenzene
  • 3-Bromo-α,α,α-trifluorotoluene

Work with 1-Bromo-3-(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

3,5-Bis(trifluoromethyl)benzene402-31-365 % similar 1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-160 % similar 1,3-Dibromo-5-(trifluoromethyl)benzene401-84-360 % similar 3-Fluorobenzotrifluoride401-80-956 % similar 1,3-Dibromobenzene108-36-152 % similar 1-(Trichloromethyl)-3-(trifluoromethyl)benzene16766-90-852 % similar 1-Methyl-3-(trifluoromethyl)benzene401-79-652 % similar 1-Iodo-3-(trifluoromethyl)benzene401-81-052 % 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 1-Bromo-2-(trifluoromethyl)benzene392-83-6 1-Bromo-4-(trifluoromethyl)benzene402-43-7

Elsewhere

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