3-Amino-4-methylbenzonitrile

Name: 3-Amino-4-methylbenzonitrile
Brand: ChemScene
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CAS No. 60710-80-7
Cat. No. CS-W019309
Purity≥98%
MDL No.MFCD04039781

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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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Description

3-Amino-4-methylbenzonitrile features a strategically positioned nitrile group flanked by amino and methyl substituents, enabling versatile integration into heterocyclic scaffolds. This electron-rich aromatic core supports efficient coupling reactions and serves as a key intermediate in pharmaceutical and agrochemical synthesis under standard conditions.

Application

3-Amino-4-methylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds via cyclization reactions. Its amino and nitrile groups offer orthogonal reactivity for sequential functionalization, while the methyl substituent enhances metabolic stability. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for scale-up in API synthesis.

General Information

CAS No. 60710-80-7
Cat. No. CS-W019309
Purity ≥98%
MDL No. MFCD04039781
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈N₂
Molecular Weight 132.16
Synonym(s) 5-Cyano-2-methylaniline, 2-Amino-4-cyanotoluene
SMILES C1=CC(=CC(=C1C)N)C#N

Computational Chemistry Data

TPSA 49.81
LogP 1.4489
H_Acceptors 2
H_Donors 1
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 Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Amino-4-methylbenzonitrile

CAS No. 60710-80-7

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