chempirical

1-Bromo-4-iodobenzene

C6H4BrICAS 589-87-7282.91 g/mol

Open in Covalent MOL file
BrI
Aryl halide

Properties

Molecular formula
C6H4BrI
Molar mass
282.91 g/mol
Exact mass
281.8541 Da
Melting point
92 °C
Boiling point
252 °C
logP
3.05Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
589-87-7
SMILES
Brc1ccc(I)cc1
InChIKey
UCCUXODGPMAHRL-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4H

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

Names and synonyms

11 names
  • Benzene, 1-bromo-4-iodo-
  • p-Bromoiodobenzene
  • p-Bromophenyl iodide
  • p-Iodobromobenzene
  • 4-Bromo-1-iodobenzene
  • 4-Bromoiodobenzene
  • 4-Iodobromobenzene
  • 4-Bromophenyl iodide
  • NSC 8033
  • 4-Iodo-1-bromobenzene
  • 4-Iodophenyl bromide

Work with 1-Bromo-4-iodobenzene

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

4-Bromo-4'-iodobiphenyl105946-82-583 % similar 1,4-Dibromobenzene106-37-660 % similar 1,4-Diiodobenzene624-38-460 % similar 1,3-Dibromo-5-iodobenzene19752-57-950 % similar 4,4′-Diiodo-1,1′-biphenyl3001-15-850 % similar 4,4′-Dibromobiphenyl92-86-450 % similar 2-Bromo-7-iodo-9H-fluorene123348-27-646 % similar 4-Bromophenol106-41-245 % similar

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

Same formula

1-Bromo-2-iodobenzene583-55-1 1-Bromo-3-iodobenzene591-18-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook