3,5-dimethoxybenzonitrile

Name: 3,5-dimethoxybenzonitrile
Brand: ChemScene
Availability: InStock
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CAS No. 19179-31-8
Cat. No. CS-W001927
Purity≥98%
MDL No.MFCD00001804

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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 19179-31-8

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Description

3,5-Dimethoxybenzonitrile features a benzonitrile core substituted with methoxy groups at the 3 and 5 positions, delivering enhanced solubility and stability. This electron-rich aromatic system enables efficient coupling reactions and serves as a robust building block in medicinal chemistry and materials synthesis.

Application

3,5-Dimethoxybenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted aromatic scaffolds via cross-coupling and electrophilic functionalization. The nitrile group provides a handle for downstream transformations including hydrolysis to carboxylic acids or reduction to primary amines, while the two methoxy groups offer orthogonal reactivity and enhanced solubility. Its bench-stable nature and compatibility with standard reaction conditions make it ideal for medicinal chemistry lead optimization and process development workflows.

General Information

CAS No. 19179-31-8
Cat. No. CS-W001927
Purity ≥98%
MDL No. MFCD00001804
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉NO₂
Molecular Weight 163.17
Synonym(s) Benzonitrile, 3,5-dimethoxy-
SMILES COc1cc(OC)cc(c1)C#N

Computational Chemistry Data

TPSA 42.25
LogP 1.57548
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3,5-dimethoxybenzonitrile

CAS No. 19179-31-8

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