2,3,6-Trichloroiodobenzene

Name: 2,3,6-Trichloroiodobenzene
Brand: ChemScene
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CAS No. 38411-20-0
Cat. No. CS-0157189
Molecule weight307.34
Purity≥98%
MDL No.MFCD13176521

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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General Information

CAS No. 38411-20-0
Cat. No. CS-0157189
Purity ≥98%
MDL No. MFCD13176521
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂Cl₃I
Molecular Weight 307.34
Synonym(s) 1,2,4-Trichloro-3-iodobenzene
SMILES C1=CC(=C(C(=C1Cl)Cl)I)Cl

Description

2,3,6-Trichloroiodobenzene features a highly electron-deficient aromatic core with three chloro substituents positioned ortho and para to the iodine atom. This configuration enhances its reactivity in transition metal-catalyzed cross-coupling processes, enabling efficient C–C and C–heteroatom bond formation under standard conditions. The molecule exhibits excellent stability during storage and handling, making it a reliable building block for complex molecular architectures in synthetic organic chemistry and medicinal research.

Application

2,3,6-Trichloroiodobenzene serves as a reliable aryl iodide building block for transition-metal-catalyzed cross-coupling reactions. Its three ortho- and meta-chlorine substituents enhance stability and modulate reactivity, enabling selective functionalization in complex molecule assembly. The compound exhibits excellent bench stability, facilitates straightforward purification, and functions effectively in Suzuki, Stille, and Negishi coupling protocols, making it a practical choice for medicinal chemistry and process-scale synthesis.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

TPSA 0
LogP 4.2514
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2,3,6-Trichloroiodobenzene

CAS No. 38411-20-0

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