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

Name: 1-Bromo-4-(tert-butyl)-2-iodobenzene
Brand: ChemScene
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CAS No. 916747-51-8
Cat. No. CS-0654872
Purity≥97%
MDL No.None

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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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1-Bromo-4-(tert-butyl)-2-iodobenzene|CS-0654872

Structure of 916747-51-8

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General Information

CAS No. 916747-51-8
Cat. No. CS-0654872
Purity ≥97%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₂BrI
Molecular Weight 339.01
Synonym(s) None
SMILES CC(C)(C)C1=CC(=C(C=C1)Br)I

Description

1-Bromo-4-(tert-butyl)-2-iodobenzene features a sterically hindered tert-butyl group flanked by bromo and iodo substituents, enabling selective cross-coupling reactions. The ortho-iodo functionality enhances reactivity in palladium-catalyzed transformations, while the bench-stable aryl framework supports reliable use in synthetic sequences requiring dual halogen handles.

Application

1-Bromo-4-(tert-butyl)-2-iodobenzene serves as a versatile dihalogenated aromatic building block for palladium-catalyzed cross-coupling reactions. The ortho-iodo and meta-bromo substituents enable sequential functionalization with high chemoselectivity, while the sterically hindered tert-butyl group enhances stability and facilitates purification. This compound is well-suited for constructing complex biaryl scaffolds in medicinal chemistry and materials 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

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

CAS No. 916747-51-8

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