Benzene, 1,3-dichloro-2-iodo-


Chemical Name: Benzene, 1,3-dichloro-2-iodo-
CAS Number: 19230-28-5
Product Number: AG002FTM(AGN-PC-0JMRDV)
Synonyms:
MDL No:
Molecular Formula: C6H3Cl2I
Molecular Weight: 272.8985

Identification/Properties


Properties
MP:
64-67 °C(lit.)
BP:
268.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Stability:
Light Sensitive
Computed Properties
Molecular Weight:
272.894g/mol
XLogP3:
4.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
0
Exact Mass:
271.866g/mol
Monoisotopic Mass:
271.866g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
87.1
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



2,6-Dichloroiodobenzene, also known as DCIB, is a versatile chemical compound widely used in various chemical synthesis applications. This compound plays a crucial role as a key building block in the preparation of important organic molecules and compounds. Its unique molecular structure containing both iodine and chlorine atoms enables it to participate in a wide range of reactions, making it a valuable reagent in organic synthesis.One of the primary applications of 2,6-Dichloroiodobenzene is in transition metal-catalyzed cross-coupling reactions, particularly in palladium-catalyzed coupling reactions. DCIB serves as a valuable electrophilic partner in these reactions, allowing for the efficient construction of carbon-carbon and carbon-heteroatom bonds. This reagent is particularly useful in the synthesis of biaryl compounds, which are essential structural motifs found in many pharmaceuticals, agrochemicals, and materials.Furthermore, 2,6-Dichloroiodobenzene is employed in various aromatic substitutions and functionalization reactions, where its halogen atoms can be selectively replaced or modified to introduce desired functional groups. This compound's high reactivity and compatibility with a wide range of reaction conditions make it a valuable tool for synthetic chemists seeking to access diverse organic molecules.In summary, the application of 2,6-Dichloroiodobenzene in chemical synthesis encompasses its use as a versatile building block for constructing complex organic molecules through cross-coupling reactions and aromatic substitutions. Its unique reactivity profile and compatibility with numerous reaction pathways make it an indispensable reagent in modern organic synthesis strategies.