1-Bromo-3-(tert-butyl)-5-iodobenzene

Name: 1-Bromo-3-(tert-butyl)-5-iodobenzene
Brand: ChemScene
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CAS No. 186772-43-0
Cat. No. CS-0173618
Molecule weight339.01
Purity≥97%
MDL No.MFCD18089329

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-Bromo-3-(tert-butyl)-5-iodobenzene|CS-0173618

Structure of 186772-43-0

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General Information

CAS No. 186772-43-0
Cat. No. CS-0173618
Purity ≥97%
MDL No. MFCD18089329
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₂BrI
Molecular Weight 339.01
Synonym(s) 3-Bromo-5-iodo-1-tert-butylbenzene
SMILES IC1=CC(C(C)(C)C)=CC(Br)=C1

Description

1-Bromo-3-(tert-butyl)-5-iodobenzene features a sterically shielded tert-butyl group flanked by bromo and iodo substituents, enabling selective cross-coupling reactions. This dual-halogenated arene integrates readily into palladium-catalyzed transformations, offering enhanced stability under standard reaction conditions.

Application

1-Bromo-3-(tert-butyl)-5-iodobenzene serves as a versatile biaryl building block for palladium-catalyzed cross-coupling reactions. The bromo and iodo substituents enable sequential functionalization, while the sterically hindered tert-butyl group enhances stability and facilitates purification. This compound functions reliably in Suzuki, Stille, and Negishi couplings, offering predictable reactivity and compatibility with diverse reaction conditions.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P261-P280-P304+P340

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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-3-(tert-butyl)-5-iodobenzene

CAS No. 186772-43-0

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