2-Chloro-4-cyanobenzoic acid

Name: 2-Chloro-4-cyanobenzoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 117738-77-9
Cat. No. CS-0042704
Purity≥96%
MDL No.MFCD11036377

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Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

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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.

There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

*For research and further manufacturing use only, not for direct human use.

Structure of 117738-77-9

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Description

2-Chloro-4-cyanobenzoic acid features a conjugated aromatic core bearing chlorine and cyano groups flanking a carboxylic acid moiety, enabling robust coupling reactions. This electron-deficient scaffold integrates readily into pharmaceutical intermediates and functional materials under standard conditions.

Application

2-Chloro-4-cyanobenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to functionalized heterocycles via coupling reactions. Its orthogonal reactivity—combining a carboxylic acid for amide formation, a cyano group for nucleophilic addition or cyclization, and a chloro substituent for palladium-catalyzed cross-coupling—supports modular scaffold construction. Bench-stable and readily purified by recrystallization, it facilitates scalable synthesis workflows.

General Information

CAS No. 117738-77-9
Cat. No. CS-0042704
Purity ≥96%
MDL No. MFCD11036377
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄ClNO₂
Molecular Weight 181.58
Synonym(s) None
SMILES O=C(O)C1=CC=C(C#N)C=C1Cl

Computational Chemistry Data

TPSA 61.09
LogP 1.90988
H_Acceptors 2
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 Cyanide/Nitrile

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Chloro-4-cyanobenzoic acid

CAS No. 117738-77-9

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