6789-99-7

Basic information

• Product Name: 4,5,6,7-tetrahydro-1H-benzotriazole
• Synonyms: 4,5,6,7-tetrahydro-1H-benzotriazole;1H-Benzotriazole, 4,5,6,7-tetrahydro-;TETRAHYDROBENZOTRIAZOLE;Einecs 229-858-6
• CAS NO: 6789-99-7
• Molecular Formula: C₆H₉N₃
• Molecular Weight: 123.15576
• EINECS: 229-858-6
• Mol File: 6789-99-7.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 298.6°C at 760 mmHg
• Flash Point: 145.2°C
• Appearance: /
• Density: 1.219g/cm³
• Vapor Pressure: 0.00223mmHg at 25°C
• Refractive Index: 1.58
• PKA: 9.7[at 20 ℃]
• Water Solubility: 18.4g/L at 20℃
• CAS DataBase Reference: 4,5,6,7-tetrahydro-1H-benzotriazole(CAS DataBase Reference)
• NIST Chemistry Reference: 4,5,6,7-tetrahydro-1H-benzotriazole(6789-99-7)
• EPA Substance Registry System: 4,5,6,7-tetrahydro-1H-benzotriazole(6789-99-7)

Safety Data

• Hazardous Substances Data: 6789-99-7(Hazardous Substances Data)

Usage

Flammability and Explosibility

Notclassified

InChI:InChI=1/C6H9N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H2,(H,7,8,9)

Upstream product

• 108-94-1 cyclohexanone 
• 13273-33-1 2-(triphenylphosphoranylidene)cyclohexanone 
• 74581-96-7 (2-Methoxy-1-cyclohexen-1-yl)triphenylphosphonium-bromid 
• 1728-36-5 3-Brom-2-methoxy-1-cyclohexen 
• 74581-99-0 1-Acetyl-4,5,6,7-tetrahydro-1H-benzotriazol 

Relevant articles and documents

Hydrogenation of 1H-benzotriazole

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A single-step acid catalyzed reaction for rapid assembly of: NH -1,2,3-triazoles

NH-1,2,3-Triazole moieties are a part of the design of various biologically active compounds, pharmaceutical agents and functional materials. Unfortunately, the applications of this heterocycle are still underexplored due to the lack of a general synthetic protocol. Here we outline a novel, general and facile metal-free pathway that enables the direct synthesis of these heterocycles by combining readily accessible and abundant precursors such as enolizable ketones and NH4OAc with high levels of regioselectivity via an organocascade process. The developed chemistry has been successfully applied to the synthesis of several structurally diverse products, pharmaceutical agents and supramolecular receptors.