4-Bromo-4'-iodobiphenyl

C₁₂H₈BrICAS 105946-82-5359.00 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₂H₈BrI
Molar mass: 359.00 g/mol
Exact mass: 357.8854 Da
logP: 4.72Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H400 Very toxic to aquatic life100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

105946-82-5

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)I)Br

InChIKey

GWOAJJWBCSUGHH-UHFFFAOYSA-N

InChI

InChI=1S/C12H8BrI/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

Weigh it out

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

Work with 4-Bromo-4'-iodobiphenyl

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

1-Bromo-4-iodobenzene589-87-783 % similar 4,4''-Dibromo-P-terphenyl17788-94-267 % similar 4,4''-Diiodo-P-terphenyl19053-14-667 % similar 4,4'-Diiodo-1,1'-biphenyl3001-15-867 % similar 4,4′-Dibromobiphenyl92-86-467 % similar 1,3,5-Tris(4-iodophenyl)benzene151417-38-857 % similar 1,3,5-Tris(4-bromophenyl)benzene7511-49-157 % similar 4-Hydroxy-4′-iodobiphenyl29558-78-957 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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