2,4,6-Trimethylbenzonitrile

Name: 2,4,6-Trimethylbenzonitrile
Brand: ChemScene
Availability: InStock
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CAS No. 2571-52-0
Cat. No. CS-W016362
Purity≥96%
MDL No.MFCD00016378

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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 2571-52-0

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Description

2,4,6-Trimethylbenzonitrile features a sterically hindered aromatic ring bearing three methyl groups flanking a nitrile moiety. This configuration imparts enhanced stability and reduced reactivity toward nucleophiles, enabling its use in selective transformations. The molecule exhibits excellent bench stability and solubility in common organic solvents, facilitating handling in synthetic workflows.

Application

2,4,6-Trimethylbenzonitrile serves as a robust aromatic nitrile building block, enabling efficient access to substituted benzonitriles via transition-metal-catalyzed cross-coupling reactions. Its electron-rich, sterically hindered structure enhances stability and facilitates selective functionalization under mild conditions. The molecule exhibits excellent bench stability, simplifies purification, and functions effectively in the synthesis of pharmaceutical intermediates and advanced heterocyclic scaffolds.

General Information

CAS No. 2571-52-0
Cat. No. CS-W016362
Purity ≥96%
MDL No. MFCD00016378
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₁N
Molecular Weight None
Synonym(s) β-Isodurylonitrile
SMILES N#CC1=C(C)C=C(C)C=C1C

Computational Chemistry Data

TPSA 23.79
LogP 2.48354
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-H319
Precautionary Statements : P264-P270-P280-P301+P310-P305+P351+P338-P330-P337+P313-P501

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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2,4,6-Trimethylbenzonitrile

CAS No. 2571-52-0

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