3-Hydroxy-4-methoxybenzonitrile

Name: 3-Hydroxy-4-methoxybenzonitrile
Brand: ChemScene
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CAS No. 52805-46-6
Cat. No. CS-W002933
Purity≥98%
MDL No.MFCD02258854

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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+
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3-Hydroxy-4-methoxybenzonitrile|CS-W002933

Structure of 52805-46-6

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Description

3-Hydroxy-4-methoxybenzonitrile features a strategically positioned hydroxyl group and methoxy substituent that enhance solubility and modulate electronic properties. This electron-rich scaffold supports efficient coupling reactions and serves as a key intermediate in the synthesis of bioactive heterocycles and functionalized aromatic systems under standard conditions.

Application

3-Hydroxy-4-methoxybenzonitrile serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the phenolic OH and methoxy groups. Its nitrile functionality facilitates downstream transformations such as amidation or reduction, while the ortho-hydroxyl group supports regioselective derivatization. The compound exhibits good bench stability and is compatible with standard purification methods, making it suitable for use in multi-step synthesis of heterocyclic scaffolds and bioactive molecules.

General Information

CAS No. 52805-46-6
Cat. No. CS-W002933
Purity ≥98%
MDL No. MFCD02258854
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇NO₂
Molecular Weight None
Synonym(s) 2-Methoxy-5-cyanophenol
SMILES OC1=C(OC)C=CC(C#N)=C1

Computational Chemistry Data

TPSA 53.25
LogP 1.27248
H_Acceptors 3
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

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Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Hydroxy-4-methoxybenzonitrile

CAS No. 52805-46-6

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