3,4-Dimethylbenzonitrile

Name: 3,4-Dimethylbenzonitrile
Brand: ChemScene
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CAS No. 22884-95-3
Cat. No. CS-W019474
Purity≥98%
MDL No.MFCD00016380

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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Structure of 22884-95-3

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Description

3,4-Dimethylbenzonitrile features a nitrile group flanked by two methyl substituents on adjacent ring positions, creating a sterically hindered, electron-rich aromatic system. This configuration enhances stability and facilitates selective functionalization in cross-coupling reactions. The compound serves as a robust building block for pharmaceutical intermediates and advanced materials, offering improved solubility and thermal resilience under standard conditions.

Application

3,4-Dimethylbenzonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling efficient access to substituted aromatic systems via electrophilic substitution or transition-metal-catalyzed coupling. The nitrile group provides a robust handle for functionalization, while the methyl groups enhance metabolic stability and modulate electronic properties. Bench-stable and readily purified by recrystallization, it functions reliably in standard synthetic workflows.

General Information

CAS No. 22884-95-3
Cat. No. CS-W019474
Purity ≥98%
MDL No. MFCD00016380
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉N
Molecular Weight 131.17
Synonym(s) None
SMILES N#CC1=CC=C(C)C(C)=C1

Computational Chemistry Data

TPSA 23.79
LogP 2.17512
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

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 Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3,4-Dimethylbenzonitrile

CAS No. 22884-95-3

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