3-Chloro-4-formylbenzoic acid

Name: 3-Chloro-4-formylbenzoic acid
Brand: ChemScene
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CAS No. 58588-59-3
Cat. No. CS-0196054
Purity≥98%
MDL No.None

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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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3-Chloro-4-formylbenzoic acid|CS-0196054

Structure of 58588-59-3

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General Information

CAS No. 58588-59-3
Cat. No. CS-0196054
Purity ≥98%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅ClO₃
Molecular Weight 184.58
Synonym(s) 3-Chlor-4-formyl-benzoesaeure
SMILES C1=CC(=C(C=C1C(=O)O)Cl)C=O

Description

3-Chloro-4-formylbenzoic acid features a strategically positioned formyl group adjacent to a carboxylic acid, enabling direct conjugation in coupling reactions. The electron-withdrawing chlorine substituent enhances electrophilicity at the formyl carbon, facilitating efficient nucleophilic addition. This ortho-functionalized scaffold integrates readily into bioactive molecule synthesis and serves as a key intermediate in medicinal chemistry campaigns targeting heterocyclic systems.

Application

3-Chloro-4-formylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling direct access to substituted benzimidazoles and heterocyclic scaffolds via condensation reactions. The ortho-functionalized core supports efficient derivatization through the formyl and carboxylic acid groups, offering excellent bench stability and straightforward purification. Its dual reactivity facilitates modular synthesis of bioactive molecules with high functional group tolerance.

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

TPSA 54.37
LogP 1.8507
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Aldehyde

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Chloro-4-formylbenzoic acid

CAS No. 58588-59-3

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