4444-26-2

Basic information

• Product Name: 1,2,3,4,5,6-Benzenehexamine-3HCl
• Synonyms: 1,2,3,4,5,6-Benzenehexamine-3HCl;benzene-1,2,3,4,5,6-hexamine;1,2,3,4,5,6-Benzenehexamine
• CAS NO: 4444-26-2
• Molecular Formula: C₆H₁₂N₆
• Molecular Weight: 277.5825
• EINECS: -0
• Mol File: 4444-26-2.mol
• Article Data: 17

Chemical Properties

• Melting Point: 255 °C (decomp)
• Boiling Point: 469.2±40.0 °C(Predicted)
• Appearance: /
• Density: 1.631±0.06 g/cm3(Predicted)
• PKA: 6.51±0.50(Predicted)
• CAS DataBase Reference: 1,2,3,4,5,6-Benzenehexamine-3HCl(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2,3,4,5,6-Benzenehexamine-3HCl(4444-26-2)
• EPA Substance Registry System: 1,2,3,4,5,6-Benzenehexamine-3HCl(4444-26-2)

Safety Data

• Hazardous Substances Data: 4444-26-2(Hazardous Substances Data)

Usage

Uses

1,2,3,4,5,6-Benzenehexamine is used as a reagent in the preparation of 2-(benzimidazol-2-yl)quinoxalines as selective antagonists at human A1 and A3 adenosine receptors.

Synthesis Reference(s)

The Journal of Organic Chemistry, 51, p. 3904, 1986 DOI: 10.1021/jo00370a032

Upstream product

• 59127-54-7 benzo<1,2-c:3,4-c':5,6-c''>tris<1,2,5>thiadiazole 
• 100-01-6 4-nitro-aniline 
• 108-70-3 1,3,5-trichlorobenzene 
• 2631-68-7 1,3,5-trichloro-2,4,6-trinitrobenzene 
• 3058-38-6 2,4,6-triamino-1,3,5-trinitrobenzene 
• 100-63-0 phenylhydrazine 

Downstream Products

• 96355-64-5 2,3,6,7,10,11-Hexakis(4-methoxyphenyl)dipyrazino<2,3-f:2',3'-h>chinoxalin 
• 1253385-66-8 C₄₀H₃₈N₆O₂ 
• 1253385-68-0 C₄₄H₄₈N₈ 
• 1450813-00-9 C₄₈H₃₀N₆O₆ 

Relevant articles and documents

Hexaazatriphenylene-Based Hydrogen-Bonded Organic Framework with Permanent Porosity and Single-Crystallinity

Hydrogen-bonded organic frameworks (HOFs) have drawn unprecedented interest because of their high crystallinity as well as facile process for construction, deconstruction, and reassembly arising from reversible bond formation-dissociation. However, struct

A molecular claw: A dynamic cavitand host

Up for grabs: A modular receptor comprises a hexaazatriphenylene "platform" and three imide residues on its concave side carrying flexible alkane chains. The chains not only populate the host's cavity but can also extend and can grab an appropriately size

Ultrathin two-dimensional π-d conjugated coordination polymer Co3(hexaaminobenzene)2 nanosheets for highly efficient oxygen evolution

Organic two-dimensional (2D) materials with unique optic-electronic properties are attracting great interest for application in functional electronic devices. However, low electronic conductivity and poor stability still are major defects of 2D organic systems. Herein, we demonstrated ultrathin 2D conductive cobalt-hexaaminobenzene metal-organic coordination polymer nanosheets (Co-HAB-NSs) with a thickness of ～4.5 nm. The as-prepared Co-HAB-NSs exhibit a low overpotential (310 mV @ 10 mA cm-2) and high durability in 1 M KOH. The experimental and computational results show that the high electrocatalytic activity is ascribed to the enhanced electrochemically active surface area as well as the dense and stable catalytic active sites of Co-HAB-NSs.

Erratum: Hexaaminobenzene as a building block for a family of 2D coordination polymers (Journal of the American Chemical Society (2017) 139 (19-22) DOI: 10.1021/jacs.6b09889)

Supporting Information, page S2. We regret that we inadvertently omitted a safety note stating that 2,4,6-trinitroaniline (TNA) and 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) are very sensitive and highly explosive. They should be handled with extreme caution. An updated Supporting Information file with this note in place is provided.