5-Bromo-2-iodo-1,3-dimethylbenzene

C8H8BrICAS 206559-43-5310.96 g/mol

Open in Covalent MOL file
BrI
Aryl halide

Properties

Molecular formula
C8H8BrI
Molar mass
310.96 g/mol
Exact mass
309.8854 Da
logP
3.67Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 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
206559-43-5
SMILES
Cc1cc(Br)cc(C)c1I
InChIKey
BSIRLLZFIVAHES-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrI/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 5-bromo-2-iodo-1,3-dimethyl-
  • 4-Bromo-2,6-dimethyliodobenzene
  • 4-Bromo-2,6-dimethyl-1-iodobenzene

Work with 5-Bromo-2-iodo-1,3-dimethylbenzene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Iodomesitylene4028-63-155 % similar 4-Bromo-2,6-dimethylphenol2374-05-254 % similar 4-Bromo-2,6-dimethylbenzenamine24596-19-854 % similar 5-Bromo-2-fluoro-M-xylene99725-44-754 % similar 5-Bromo-2-iodotoluene116632-39-450 % similar 4-Bromo-2,6-dimethylanisole14804-38-750 % similar 4-Bromo-o-xylene583-71-150 % similar 4-Iodo-3,5-dimethyl-phenol80826-86-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-ethyl-1-iodobenzene175278-30-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook