2,3-Diaminobenzonitrile

Name: 2,3-Diaminobenzonitrile
Brand: ChemScene
Availability: InStock
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CAS No. 73629-43-3
Cat. No. CS-0042470
Purity≥97%
MDL No.MFCD18072544

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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+
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Structure of 73629-43-3

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General Information

CAS No. 73629-43-3
Cat. No. CS-0042470
Purity ≥97%
MDL No. MFCD18072544
Storage RT, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₇N₃
Molecular Weight 133.15
Synonym(s) 1,2-diamino-3-cyanobenzene
SMILES N#CC1=CC=CC(N)=C1N

Description

2,3-Diaminobenzonitrile features a fused aromatic core bearing two amino groups and a nitrile functionality, enabling versatile coupling reactions. The ortho-diamine arrangement facilitates chelation in metal coordination complexes, while the nitrile group offers synthetic handle for derivatization. This compound exhibits robust stability under standard bench conditions and integrates readily into heterocyclic frameworks.

Application

2,3-Diaminobenzonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling the synthesis of heterocyclic scaffolds via cyclization reactions. Its ortho-diamine functionality facilitates metal-catalyzed couplings and complexation with transition metals, while the nitrile group supports nucleophilic additions and conversion to carboxamides or carboxylic acids. The compound exhibits good bench stability and is readily purified by recrystallization, making it suitable for scalable synthesis workflows.

Synthesis

Route1
- 87331-46-2
- ~%
- In-stock
  
  73629-43-3
References
- Goeker, Hakan; Alp, Mehmet; Ates-Alagoez, Zeynep; Yildiz, Sulhiye Journal of Heterocyclic Chemistry, 2009 , vol. 46, # 5 p. 936 - 948

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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Computational Chemistry Data

TPSA 75.83
LogP 0.72268
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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2,3-Diaminobenzonitrile

CAS No. 73629-43-3

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