Methyl 3-bromo-4-iodobenzoate

Name: Methyl 3-bromo-4-iodobenzoate
Brand: ChemScene
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CAS No. 249647-24-3
Cat. No. CS-W014281
Purity≥96%
MDL No.MFCD07778512

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Methyl 3-bromo-4-iodobenzoate|CS-W014281

Structure of 249647-24-3

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Description

Methyl 3-bromo-4-iodobenzoate features a dual halogenated aromatic core, enabling efficient cross-coupling reactions in synthetic organic chemistry. The strategically positioned bromo and iodo groups facilitate sequential functionalization, while the methyl ester provides a handle for further derivatization. This compound offers high reactivity under standard palladium-catalyzed conditions and demonstrates excellent stability under routine handling.

Application

Methyl 3-bromo-4-iodobenzoate 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 synthesis of complex biaryl systems and substituted heterocycles. Its bench-stable nature and compatibility with standard coupling conditions make it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

General Information

CAS No. 249647-24-3
Cat. No. CS-W014281
Purity ≥96%
MDL No. MFCD07778512
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrIO₂
Molecular Weight 340.94
Synonym(s) 3-Bromo-4-Iodobenzoic Acid Methyl Ester
SMILES COC(=O)C1=CC(Br)=C(I)C=C1

Computational Chemistry Data

TPSA 26.3
LogP 2.8403
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Methyl 3-bromo-4-iodobenzoate

CAS No. 249647-24-3

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