1-Bromo-4-(trifluoromethyl)benzene
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
Identifiers
CAS number
402-43-7SMILES
FC(F)(F)c1ccc(Br)cc1InChIKey
XLQSXGGDTHANLN-UHFFFAOYSA-NInChI
InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
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