2-Amino-4-methylbenzonitrile

Name: 2-Amino-4-methylbenzonitrile
Brand: ChemScene
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CAS No. 26830-96-6
Cat. No. CS-W008109
Purity≥98%
MDL No.MFCD00173706

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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 26830-96-6

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General Information

CAS No. 26830-96-6
Cat. No. CS-W008109
Purity ≥98%
MDL No. MFCD00173706
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈N₂
Molecular Weight 132.16
Synonym(s) 6-Cyano-m-toluidine
SMILES C1=C(C(=CC(=C1)C)N)C#N

Application

2-Amino-4-methylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of heterocyclic scaffolds via cyclization reactions. Its ortho-amino and nitrile functionalities offer complementary reactivity for Ugi-type condensations, amide couplings, and transition-metal-catalyzed transformations. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative library synthesis and API intermediate development.

Synthesis

Route1
- In-stock
  
  26830-95-5
- ~99%
- In-stock
  
  26830-96-6
References
- Chan, Sharon Lai-Fung; Low, Kam-Hung; So, Gary Kwok-Ming; Chui, Stephen Sin-Yin; Che, Chi-Ming Chemical Communications, 2011 , vol. 47, # 31 p. 8808 - 8810
Route2
- 89-62-3
- ~%
- In-stock
  
  26830-96-6
References
- Chandler, Stephen A. Journal of the Chemical Society, Perkin Transactions 2, 2001 , # 2 p. 214 - 228
Route3
- In-stock
  
  26830-95-5
- ~%
- In-stock
  
  39549-79-6
- In-stock
  
  26830-96-6
References
- Borsche; Herbert Justus Liebigs Annalen der Chemie, 1941 , vol. 546, p. 277,291

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 49.81
LogP 1.4489
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

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2-Amino-4-methylbenzonitrile

CAS No. 26830-96-6

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