1-Bromo-2-iodobenzene

C6H4BrICAS 583-55-1282.91 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
9.5 °C
Boiling point
257 °C
logP
3.05Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
583-55-1
SMILES
Brc1ccccc1I
InChIKey
OIRHKGBNGGSCGS-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrI/c7-5-3-1-2-4-6(5)8/h1-4H

Weigh it out

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

Names and synonyms

10 names
  • Benzene, 1-bromo-2-iodo-
  • o-Bromoiodobenzene
  • 2-Bromoiodobenzene
  • o-Iodobromobenzene
  • o-Bromophenyl iodide
  • 2-Bromo-1-iodobenzene
  • 1-Iodo-2-bromobenzene
  • 2-Bromophenyl iodide
  • 2-Iodobromobenzene
  • 2-Iodo-1-bromobenzene

Work with 1-Bromo-2-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

1,2-Diiodobenzene615-42-959 % similar 1-Bromo-8-iodonaphthalene4044-58-054 % similar 1-Bromo-4-iodonaphthalene63279-58-354 % similar 2-Bromo-6-iodotoluene97456-81-054 % similar 1,2-Dibromobenzene583-53-953 % similar 2-Iodotoluene615-37-252 % similar 2-Bromotoluene95-46-552 % similar 1,4-Dibromo-2,5-diiodobenzene63262-06-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-4-iodobenzene589-87-7 1-Bromo-3-iodobenzene591-18-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook