3-Hydroxy-4-iodobenzonitrile

Name: 3-Hydroxy-4-iodobenzonitrile
Brand: ChemScene
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CAS No. 210962-75-7
Cat. No. CS-0370538
Purity≥96%
MDL No.MFCD12828346

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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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Structure of 210962-75-7

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General Information

CAS No. 210962-75-7
Cat. No. CS-0370538
Purity ≥96%
MDL No. MFCD12828346
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄INO
Molecular Weight 245.02
Synonym(s) 5-cyano-2-iodophenol
SMILES N#CC1=CC=C(I)C(O)=C1

Description

3-Hydroxy-4-iodobenzonitrile features a hydroxyl group flanked by iodine and nitrile functionalities on a benzene ring, enabling selective coupling reactions. This electron-deficient aryl scaffold facilitates transition-metal-catalyzed transformations under standard conditions, offering stable, high-purity access to complex heterocycles and functionalized arenes in medicinal chemistry and materials synthesis.

Application

3-Hydroxy-4-iodobenzonitrile serves as a versatile building block for palladium-catalyzed cross-coupling reactions, enabling efficient access to substituted biaryls and heterocycles. The ortho-hydroxyl group provides enhanced solubility and facilitates in situ coordination in catalytic systems, while the iodide offers high reactivity in Suzuki, Stille, and Negishi couplings. The nitrile group supports further functionalization via hydrolysis or nucleophilic addition, offering synthetic flexibility for pharmaceutical intermediates and advanced materials.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

TPSA 44.02
LogP 1.86848
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Phenol

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Hydroxy-4-iodobenzonitrile

CAS No. 210962-75-7

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