1,3-Dibromo-2-iodobenzene

C₆H₃Br₂ICAS 19821-80-8361.80 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃Br₂I
Molar mass: 361.80 g/mol
Exact mass: 359.7646 Da
logP: 3.82Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

H413 May cause long lasting harmful effects to aquatic life97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number

19821-80-8

SMILES

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

InChIKey

OIFRMZVTJQAPIF-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Br2I/c7-4-2-1-3-5(8)6(4)9/h1-3H

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Names and synonyms

1 names

1,3-Dibromo-2-iodo-benzene

Work with 1,3-Dibromo-2-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-Bromo-3-fluoro-2-iodobenzene450412-29-064 % similar 3-Bromo-2-iodophenol855836-52-164 % similar 3,5-Dibromo-4-iodotoluene175278-10-148 % similar 1,3-Dibromo-5-fluoro-2-iodobenzene62720-29-048 % similar 1-Bromo-2-iodobenzene583-55-148 % similar 1,5-Dibromonaphthalene7351-74-847 % similar 1,2-Dibromobenzene583-53-947 % similar 1,3-Dibromo-2-chlorobenzene19230-27-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Dibromo-5-iodobenzene19752-57-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook