2-Bromo-4-(tert-butyl)-1-iodobenzene

Name: 2-Bromo-4-(tert-butyl)-1-iodobenzene
Brand: ChemScene
Availability: InStock
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CAS No. 860435-39-8
Cat. No. CS-0148482
Purity≥96%
MDL No.MFCD09878146

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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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2-Bromo-4-(tert-butyl)-1-iodobenzene|CS-0148482

Structure of 860435-39-8

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General Information

CAS No. 860435-39-8
Cat. No. CS-0148482
Purity ≥96%
MDL No. MFCD09878146
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₂BrI
Molecular Weight 339.01
Synonym(s) 2-Bromo-4-tert-butyl-1-iodo-benzene
SMILES IC1=CC=C(C(C)(C)C)C=C1Br

Description

2-Bromo-4-(tert-butyl)-1-iodobenzene features a sterically shielded tert-butyl group and dual halogen handles—bromine and iodine—at adjacent positions, enabling selective cross-coupling reactions. This ortho-disubstituted aryl halide delivers high functional group tolerance and stability under standard conditions, facilitating efficient C–C bond formation in palladium-catalyzed processes.

Application

2-Bromo-4-(tert-butyl)-1-iodobenzene serves as a versatile biaryl building block in palladium-catalyzed cross-coupling reactions, enabling efficient construction of complex arenes and heterocycles. The ortho-bromo and para-iodo substituents offer complementary reactivity for sequential functionalization, while the sterically hindered tert-butyl group enhances stability and facilitates purification. This compound functions reliably in Suzuki, Stille, and Negishi couplings under standard conditions, making it a practical choice for medicinal chemistry and materials synthesis workflows.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P302+P352-P304+P340

Quality Control

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Computational Chemistry Data

TPSA 0
LogP 4.3512
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Bromo-4-(tert-butyl)-1-iodobenzene

CAS No. 860435-39-8

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