3-Chloro-5-iodobenzoic acid

Name: 3-Chloro-5-iodobenzoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 289039-25-4
Cat. No. CS-W005808
Purity≥97%
MDL No.MFCD00672966

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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 289039-25-4

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Description

3-Chloro-5-iodobenzoic acid features a benzoic acid core substituted with chlorine at the meta position and iodine at the para position relative to the carboxyl group. This electronic and steric profile enables direct functionalization in cross-coupling reactions, particularly in palladium-catalyzed transformations. The molecule exhibits robust stability under standard bench conditions and integrates efficiently into complex molecular architectures.

Application

3-Chloro-5-iodobenzoic acid serves as a versatile building block for transition-metal-catalyzed cross-coupling reactions, enabling the construction of substituted biaryl and heteroaryl scaffolds. The orthogonal reactivity of chlorine and iodine facilitates sequential functionalization, while the carboxylic acid group supports direct derivatization or incorporation into pharmaceutical intermediates. Bench-stable and readily purified by recrystallization, it is well-suited for scalable synthesis and process development in medicinal chemistry workflows.

General Information

CAS No. 289039-25-4
Cat. No. CS-W005808
Purity ≥97%
MDL No. MFCD00672966
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄ClIO₂
Molecular Weight 282.46
Synonym(s) 3-Chlor-5-jod-benzoesaeure
SMILES OC(=O)C1=CC(Cl)=CC(I)=C1

Computational Chemistry Data

TPSA 37.3
LogP 2.6428
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 Chloride

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Chloro-5-iodobenzoic acid

CAS No. 289039-25-4

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