1-Bromo-2-iodo-4-methylbenzene

Name: 1-Bromo-2-iodo-4-methylbenzene
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 858841-53-9
Cat. No. CS-W005149
Purity≥96%
MDL No.MFCD07784420

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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-2-iodo-4-methylbenzene|CS-W005149

Structure of 858841-53-9

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Description

1-Bromo-2-iodo-4-methylbenzene features dual halogen substituents on a methylated benzene core, enabling selective cross-coupling reactions. The bromo group offers high reactivity in palladium-catalyzed processes, while the iodo moiety provides complementary coupling efficiency. This ortho-halogenated scaffold supports sequential functionalization strategies in synthetic organic chemistry and materials science applications.

Application

1-Bromo-2-iodo-4-methylbenzene serves as a versatile dihalogenated aromatic building block for palladium-catalyzed cross-coupling reactions. The bromo and iodo substituents enable sequential functionalization via orthogonal reactivity, facilitating the construction of complex biaryl scaffolds. The methyl group provides a site for further derivatization and enhances solubility in organic media. Bench-stable and compatible with standard coupling protocols, it functions reliably in medicinal chemistry and materials synthesis workflows.

General Information

CAS No. 858841-53-9
Cat. No. CS-W005149
Purity ≥96%
MDL No. MFCD07784420
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆BrI
Molecular Weight None
Synonym(s) 4-BROMO-3-IODOTOLUENE
SMILES CC1=CC(I)=C(Br)C=C1

Computational Chemistry Data

TPSA 0
LogP 3.36212
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H413
Precautionary Statements : P264-P270-P273-P330-P405-P501

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Bromo-2-iodo-4-methylbenzene

CAS No. 858841-53-9

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