5-Amino-2-methylbenzonitrile

Name: 5-Amino-2-methylbenzonitrile
Brand: ChemScene
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CAS No. 50670-64-9
Cat. No. CS-W013407
Purity≥97%
MDL No.MFCD00017608

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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 50670-64-9

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Description

5-Amino-2-methylbenzonitrile features a strategically positioned amino group and nitrile functionality on a methyl-substituted benzene ring, enabling direct incorporation into conjugated systems. This electron-rich scaffold supports efficient coupling reactions and serves as a key intermediate in the synthesis of functionalized heterocycles and pharmaceutical candidates.

Application

5-Amino-2-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 downstream functionalization, while the methyl substituent enhances metabolic stability. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for multi-step synthesis and process-scale applications.

General Information

CAS No. 50670-64-9
Cat. No. CS-W013407
Purity ≥97%
MDL No. MFCD00017608
Storage RT, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈N₂
Molecular Weight 132.17
Synonym(s) 5-Amino-o-tolunitrile
SMILES NC1=CC(=C(C=C1)C)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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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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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5-Amino-2-methylbenzonitrile

CAS No. 50670-64-9

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