2,5-Dimethoxybenzonitrile

Name: 2,5-Dimethoxybenzonitrile
Brand: ChemScene
Availability: InStock
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CAS No. 5312-97-0
Cat. No. CS-W007028
Purity≥98%
MDL No.MFCD00016375

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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 5312-97-0

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Description

2,5-Dimethoxybenzonitrile features a benzene ring bearing two methoxy groups at the 2- and 5-positions and a nitrile group at the 1-position, delivering enhanced electron density and solubility in polar organic solvents. This configuration supports its use in pharmaceutical intermediates and agrochemical synthesis, where stability under standard conditions is essential.

Application

2,5-Dimethoxybenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted aromatic scaffolds. The ortho-dimethoxy pattern provides enhanced solubility and stability, while the nitrile group facilitates transformations such as hydrolysis to carboxylic acids, reduction to aldehydes or amines, and participation in Ugi or Passerini reactions. Its functional group tolerance and bench-stable nature make it well-suited for multi-step synthesis and process development in medicinal chemistry and agrochemical research.

General Information

CAS No. 5312-97-0
Cat. No. CS-W007028
Purity ≥98%
MDL No. MFCD00016375
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉NO₂
Molecular Weight 163.17
Synonym(s) 3-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
SMILES COC1=CC(C#N)=C(OC)C=C1

Computational Chemistry Data

TPSA 42.25
LogP 1.57548
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

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-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 Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2,5-Dimethoxybenzonitrile

CAS No. 5312-97-0

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