3-Bromo-4-iodobenzoic acid

Name: 3-Bromo-4-iodobenzoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 249647-25-4
Cat. No. CS-W006144
Purity≥97%
MDL No.MFCD06808825

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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Structure of 249647-25-4

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Description

3-Bromo-4-iodobenzoic acid features a dual halogenated aromatic core with complementary reactivity at the meta and para positions relative to the carboxylic acid group. This orthogonal functionalization enables selective cross-coupling transformations in synthetic sequences. The molecule exhibits robust stability under standard conditions and integrates readily into complex molecular architectures requiring precise spatial control.

Application

3-Bromo-4-iodobenzoic acid serves as a versatile building block for palladium-catalyzed cross-coupling reactions, enabling the construction of biaryl and heteroaryl scaffolds under standard conditions. The orthogonal reactivity of bromine and iodine substituents allows sequential functionalization, while the carboxylic acid group facilitates derivatization via amide, ester, or Weinreb amide formation. Bench-stable and readily purified by recrystallization, it supports scalable synthesis in medicinal chemistry and materials science applications.

General Information

CAS No. 249647-25-4
Cat. No. CS-W006144
Purity ≥97%
MDL No. MFCD06808825
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrIO₂
Molecular Weight 326.91
Synonym(s) 3-Bromo-4-iodo-benzoic acid
SMILES OC(=O)C1=CC(Br)=C(I)C=C1

Computational Chemistry Data

TPSA 37.3
LogP 2.7519
H_Acceptors 1
H_Donors 1
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

Quality Control

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Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Bromo-4-iodobenzoic acid

CAS No. 249647-25-4

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