400063-96-9

Basic information

• Product Name: 1H-1,2,4-Triazolo[4,3-b][1,2,4]triazole-3,6-diamine(9CI)
• Synonyms: 1H-1,2,4-Triazolo[4,3-b][1,2,4]triazole-3,6-diamine(9CI)
• CAS NO: 400063-96-9
• Molecular Formula: C3H5N7
• Molecular Weight: 139.12
• Product Categories: AMINEPRIMARY
• Mol File: 400063-96-9.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1H-1,2,4-Triazolo[4,3-b][1,2,4]triazole-3,6-diamine(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-1,2,4-Triazolo[4,3-b][1,2,4]triazole-3,6-diamine(9CI)(400063-96-9)
• EPA Substance Registry System: 1H-1,2,4-Triazolo[4,3-b][1,2,4]triazole-3,6-diamine(9CI)(400063-96-9)

Safety Data

• Hazardous Substances Data: 400063-96-9(Hazardous Substances Data)

Usage

Structure

Two triazole rings and a single amine group

Chemical family

Triazolo[4,3-b][1,2,4]triazole

Usage

Primarily used in research and experimental studies

Potential applications

Medicinal chemistry, material science, pharmaceutical research, and drug development

Biological activities

Exhibits interesting biological activities (further studies required)

Need for further research

Further studies necessary to understand its potential uses and implications

Upstream product

• 506-68-3 bromocyane 
• 61033-37-2 3-amino-5-hydrazino-1,2,4-triazole dihydrochloride 

Relevant articles and documents

Very thermostable energetic materials based on a fused-triazole: 3,6-diamino-1: H -[1,2,4]triazolo[4,3- b] [1,2,4]triazole

3,6-Diamino-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazole (1) and its energetic salts (2-9) were designed and synthesized based on a fused-triazole backbone with two C-amino groups as substituents. Their physicochemical and energetic properties were measured or calculated. Among them, compound 1 exhibits superior thermostability (Td?(onset): 261 °C), surpassing its analogues 3,7-diamino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole (DATT, 219 °C) and 3,6,7-triamino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole (TATOT, 245 °C). The differences in thermal stabilities were further investigated by determining the lowest bond dissociation energies (BDE) where a positive correlation between the stability of the molecules and the lowest BDE values is observed. The results show that 1 with the highest value for the lowest BDE has a superior thermostability in comparison to DATT and TATOT. The energetic salts (2-9) also exhibit remarkable thermal stabilities as well as low impact and friction sensitivities. The fused-triazole backbone 1H-[1,2,4]triazolo[4,3-b][1,2,4]triazole with two C-amino groups as substituents is shown to be a promising building block for construction of very thermally stable energetic materials. This journal is