2-Chloro-5-formylbenzonitrile

Name: 2-Chloro-5-formylbenzonitrile
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CAS No. 1261759-41-4
Cat. No. CS-0060341
Purity≥95%
MDL No.MFCD18392413

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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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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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2-Chloro-5-formylbenzonitrile|CS-0060341

Structure of 1261759-41-4

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General Information

CAS No. 1261759-41-4
Cat. No. CS-0060341
Purity ≥95%
MDL No. MFCD18392413
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄ClNO
Molecular Weight 165.58
Synonym(s) None
SMILES C1=CC(=C(C=C1C=O)C#N)Cl

Description

2-Chloro-5-formylbenzonitrile features a formyl group at the 5-position and a nitrile moiety at the 1-position, flanked by a chlorine substituent at the 2-position. This electron-deficient aromatic scaffold integrates readily into coupling reactions, enabling efficient access to functionalized heterocycles under mild conditions. The compound exhibits enhanced stability and solubility in common organic solvents, facilitating use in multistep synthetic sequences.

Application

2-Chloro-5-formylbenzonitrile serves as a versatile bifunctional building block in medicinal chemistry and materials science. The formyl group enables direct functionalization via nucleophilic addition or oxime formation, while the nitrile supports reductive amination or hydrolysis to carboxamide derivatives. Its chloro substituent facilitates palladium-catalyzed cross-coupling reactions, enabling rapid access to complex heterocyclic scaffolds. The compound exhibits good bench stability and is readily purified by silica gel chromatography, supporting efficient integration into multi-step syntheses.

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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Computational Chemistry Data

TPSA 40.86
LogP 2.02418
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Aldehyde

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Chloro-5-formylbenzonitrile

CAS No. 1261759-41-4

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