chempirical

1-Bromo-3-iodobenzene

C6H4BrICAS 591-18-4282.91 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
−9.3 °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
591-18-4
SMILES
Brc1cccc(I)c1
InChIKey
CTPUUDQIXKUAMO-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrI/c7-5-2-1-3-6(8)4-5/h1-4H

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 1-bromo-3-iodo-
  • m-Bromoiodobenzene
  • 3-Bromophenyl iodide
  • 3-Iodobromobenzene
  • 3-Bromoiodobenzene
  • 1-Iodo-3-bromobenzene
  • 3-Bromo-1-iodobenzene
  • 3-Iodo-1-bromobenzene
  • 3-Iodophenyl bromide

Work with 1-Bromo-3-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

1,3-Dibromobenzene108-36-160 % similar 1,3-Diiodobenzene626-00-660 % similar 1,3-Dibromo-5-iodobenzene19752-57-955 % similar 1-Bromo-3-chloro-5-iodobenzene13101-40-148 % similar 1-Bromo-3-fluorobenzene1073-06-948 % similar 1-Bromo-3-chlorobenzene108-37-248 % similar 1-Fluoro-3-iodobenzene1121-86-448 % similar 1-Chloro-3-iodobenzene625-99-048 % similar

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

Same formula

1-Bromo-2-iodobenzene583-55-1 1-Bromo-4-iodobenzene589-87-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook