4-Amino-2,6-dimethylbenzonitrile

Name: 4-Amino-2,6-dimethylbenzonitrile
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CAS No. 114820-10-9
Cat. No. CS-0159914
Purity≥95%
MDL No.None

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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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4-Amino-2,6-dimethylbenzonitrile|CS-0159914

Structure of 114820-10-9

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General Information

CAS No. 114820-10-9
Cat. No. CS-0159914
Purity ≥95%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₀N₂
Molecular Weight 146.19
Synonym(s) Benzonitrile, 4-amino-2,6-dimethyl- (9CI)
SMILES N#CC1=C(C)C=C(N)C=C1C

Description

4-Amino-2,6-dimethylbenzonitrile features a para-amino group flanked by two methyl substituents on a benzonitrile scaffold, delivering enhanced electron density and steric protection. This configuration promotes stability under standard conditions while enabling straightforward integration into pharmaceutical intermediates and functional materials.

Application

4-Amino-2,6-dimethylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted benzimidazoles and other heterocyclic scaffolds via cyclization reactions. Its ortho-methyl groups provide steric guidance for selective functionalization, while the nitrile and amino groups offer complementary reactivity for downstream transformations. Bench-stable and readily purified by recrystallization, it functions effectively in standard coupling and electrophilic substitution protocols.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 49.81
LogP 1.75732
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Amino-2,6-dimethylbenzonitrile

CAS No. 114820-10-9

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