1-Bromo-2-chloro-4-iodobenzene

C6H3BrClICAS 535934-25-9317.35 g/mol

Open in Covalent MOL file
IClBr
Aryl halide

Properties

Molecular formula
C6H3BrClI
Molar mass
317.35 g/mol
Exact mass
315.8151 Da
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 5 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
535934-25-9
SMILES
C1=CC(=C(C=C1I)Cl)Br
InChIKey
GAQKEAQMVDKCAF-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClI/c7-5-2-1-4(9)3-6(5)8/h1-3H

Weigh it out

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Names and synonyms

1 names
  • 4-Bromo-3-chloroiodobenzene

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

Similar compounds

1,2-Dichloro-4-iodobenzene20555-91-360 % similar 1-Bromo-2-chlorobenzene694-80-458 % similar 1-Bromo-2,4-dichlorobenzene1193-72-256 % similar 1,4-Dibromo-2-chlorobenzene3460-24-056 % similar 2-Bromo-5-iodotoluene202865-85-854 % similar 4-Bromo-3-chlorotoluene6627-51-654 % similar 2-Chloro-4-iodo-1-methylbenzene83846-48-454 % similar 1-Bromo-2-chloro-4-fluorobenzene110407-59-552 % 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 2-Bromo-4-chloro-1-iodobenzene31928-44-6 4-Bromo-2-chloro-1-iodobenzene31928-47-9

Elsewhere

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