116598-69-7

Basic information

• Product Name: (6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)-ACETONITRILE
• Synonyms: 2-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile;5H-1,2,4-Triazolo[4,3-a]azepine-3-acetonitrile,6,7,8,9-tetrahydro-;6,7,8,9-Tetrahydro-5H-[1,2,4]-triazolo[4,3-a]azepine-3-acetonitrile
• CAS NO: 116598-69-7
• Molecular Formula: C₉H₁₂N₄
• Molecular Weight: 176.22
• Mol File: 116598-69-7.mol

Chemical Properties

• Boiling Point: 410°Cat760mmHg
• Flash Point: 201.8°C
• Appearance: /
• Density: 1.28g/cm³
• Vapor Pressure: 6.21E-07mmHg at 25°C
• Refractive Index: 1.663
• Storage Temp.: 2-8°C
• CAS DataBase Reference: (6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)-ACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: (6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)-ACETONITRILE(116598-69-7)
• EPA Substance Registry System: (6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)-ACETONITRILE(116598-69-7)

Safety Data

• Hazardous Substances Data: 116598-69-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)-ACETONITRILE is used as a pharmaceutical agent for its potential antitumor and antifungal properties, offering new avenues for the development of treatments targeting cancer and fungal infections.
Used in Neurological Disorder Treatment:
In the field of neurology, (6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)-ACETONITRILE is being studied for its potential applications in treating neurological disorders. Its interaction with neurotransmitter receptors in the brain suggests that it may play a role in managing conditions related to neurotransmission dysregulation.
Used in Drug Development Research:
(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)-ACETONITRILE is utilized in drug development research to explore its therapeutic potential and optimize its pharmacological properties for various medical conditions, including but not limited to cancer, fungal infections, and neurological disorders.

InChI:InChI=1/C9H12N4/c10-6-5-9-12-11-8-4-2-1-3-7-13(8)9/h1-5,7H2

Upstream product

• 2525-16-8 O-methylcaprolactim 
• 140-87-4 Cyanoacetohydrazide 

Relevant articles and documents

Study of reactions of lactim ethers with cyanoacetohydrazide

Main pathways in reactions of lactim ethers with cyanoacetic acid hydrazide depend on the ring size of the starting lactim ether. Five-membered O-methylbutyrolactim produces pre-dominantly 3-amino-4-(pyrrolidin-2-ylidene)-4, 5-dihydropyrazol-5-one, whereas condensation of six-and seven-membered lactim ethers (O-methylvalero-and O-methylcaprolactim, respectively) affords the corresponding polymethylenetriazoles as the major products.