chempirical

1,4-Dibromo-2-(trifluoromethyl)benzene

C7H3Br2F3CAS 7657-09-2303.90 g/mol

Open in Covalent MOL file
FFFBrBr
Alkyl halideAryl halide

Properties

Molecular formula
C7H3Br2F3
Molar mass
303.90 g/mol
Exact mass
301.8554 Da
Melting point
49–50 °C
Boiling point
206–207 °C
logP
4.23Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
7657-09-2
SMILES
FC(F)(F)c1cc(Br)ccc1Br
InChIKey
VWKFJAOCLPPQGR-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Br2F3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H

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Names and synonyms

7 names
  • Benzene, 1,4-dibromo-2-(trifluoromethyl)-
  • Toluene, 2,5-dibromo-α,α,α-trifluoro-
  • 2,5-Dibromobenzotrifluoride
  • 2,5-Dibromo-α,α,α-trifluorotoluene
  • 2,5-Dibromo-1-(trifluoromethyl)benzene
  • 2,5-Dibromo(trifluoromethyl)benzene
  • NSC 88275

Work with 1,4-Dibromo-2-(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

2-Bromo-5-fluorobenzotrifluoride40161-55-568 % similar 1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-364 % similar 5-Bromo-2-fluorobenzotrifluoride393-37-362 % similar 1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-060 % similar 4-Bromo-1-iodo-2-(trifluoromethyl)benzene364-12-560 % similar 4-Bromo-3-(trifluoromethyl)aniline393-36-260 % similar 5-Bromo-2-chlorobenzotrifluoride445-01-260 % similar 4-Bromo-2-(trifluoromethyl)aniline445-02-360 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Dibromo-5-(trifluoromethyl)benzene401-84-3

Elsewhere

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