1-Bromo-4-iodobenzene

C₆H₄BrICAS 589-87-7282.91 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation98.1% of notifiers
H319 Causes serious eye irritation98.1% of notifiers
H335 May cause respiratory irritation94.3% of notifiers
H413 May cause long lasting harmful effects to aquatic life77.4% of notifiers

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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

Weigh it out

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 4,4''-Dibromo-P-terphenyl17788-94-250 % similar 4,4''-Diiodo-P-terphenyl19053-14-650 % similar 1,3-Dibromo-5-iodobenzene19752-57-950 % similar 4,4'-Diiodo-1,1'-biphenyl3001-15-850 % similar 4-Iodophenol540-38-550 % 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