2-Bromo-4-chloro-1-iodobenzene

C6H3BrClICAS 31928-44-6317.35 g/mol

Open in Covalent MOL file
ClIBr
Aryl halide

Properties

Molecular formula
C6H3BrClI
Molar mass
317.35 g/mol
Exact mass
315.8151 Da
Melting point
31–33 °C
logP
3.71Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 11 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
31928-44-6
SMILES
Clc1ccc(I)c(Br)c1
InChIKey
CXHXFDQEFKFYQJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClI/c7-5-3-4(8)1-2-6(5)9/h1-3H

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 2-bromo-4-chloro-1-iodo-
  • 2-Bromo-1-iodo-4-chlorobenzene
  • 1-Bromo-5-chloro-2-iodobenzene
  • 4-Chloro-1-iodo-2-bromobenzene
  • 2-Bromo-4-chloroiodobenzene

Work with 2-Bromo-4-chloro-1-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Bromo-4-chloro-1-methylbenzene27139-97-557 % similar 2-Bromo-1,4-dichlorobenzene1435-50-356 % similar 2,4-Dichloro-1-iodobenzene29898-32-656 % similar 4-Chloro-1-iodo-2-methylbenzene23399-70-454 % similar 1-Bromo-4-chloro-2-methylbenzene14495-51-352 % similar 2-Bromo-4-chloro-1-fluorobenzene1996-30-152 % similar 2-Bromo-4-fluoro-1-iodobenzene202865-73-452 % similar 4-Chloro-2-fluoro-1-iodobenzene6797-79-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-3-chloro-5-iodobenzene13101-40-1 1-Bromo-4-chloro-2-iodobenzene148836-41-3 4-Bromo-2-chloro-1-iodobenzene31928-47-9 1-Bromo-2-chloro-4-iodobenzene535934-25-9

Elsewhere

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