2,5,8-Trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

Base Information

• Chemical Name: 2,5,8-Trichloro-1,3,4,6,7,9,9b-heptaazaphenalene
• CAS No.: 6710-92-5
• Molecular Formula: C6Cl3N7
• Molecular Weight: 276.472
• European Community (EC) Number: 963-201-0
• Nikkaji Number: J1.731.383E
• Mol file: 6710-92-5.mol

Synonyms:6710-92-5;2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene;2,5,8-Trichloro-1,3,3a1,4,6,7,9-heptaazaphenalene;1,3,4,6,7,9,9b-Heptaazaphenalene, 2,5,8-trichloro-;3,7,11-trichloro-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene;YSWG430;SCHEMBL3221083;XQCSSANETDMLMF-UHFFFAOYSA-N;CS-0110708;A929383;1,3,4,6,7,9,9b-Heptaazaphenalene,2,5,8-trichloro

Chemical Property of 2,5,8-Trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

Chemical Property:

• PSA: 81.75000
• LogP: 1.42270
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 274.928076
• Heavy Atom Count: 16
• Complexity: 441

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C12=NC(=NC3=NC(=NC(=NC(=N1)Cl)N23)Cl)Cl
• General Description: 1,3,4,6,7,9,9b-Heptaazaphenalene,2,5,8-trichloro- (also known as trichloro-s-heptazine or cyameluric chloride) is an electron-deficient planar heterocyclic compound with a tri-s-triazine (s-heptazine) core. It serves as a key precursor for synthesizing nitrogen-rich carbon nitride materials, exhibiting π-delocalization and a low band gap. The trichloro derivative is particularly useful for further functionalization, such as conversion to triazides or integration into supramolecular structures like metal-organic nanocapsules. Its planar geometry and electron-deficient nature make it suitable for optoelectronic applications, including luminescent materials and discotic liquid crystals, though it is more commonly employed as an intermediate rather than a standalone functional material.

Technology Process of 2,5,8-Trichloro-1,3,4,6,7,9,9b-heptaazaphenalene

There total 5 articles about 2,5,8-Trichloro-1,3,4,6,7,9,9b-heptaazaphenalene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

phosphorus pentachloride (10026-13-8,874483-75-7) + cyameluric acid tripotassium salt → 2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene (6710-92-5)

Guidance literature:

In neat (no solvent); at 220 ℃; for 24h; Sealed tube;

DOI:10.1039/c4cc00375f

Reference yield: 91.0%

cyameluric acid tripotassium salt → 2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene (6710-92-5)

Guidance literature:

With phosphorus pentachloride; at 130 ℃; for 10h; under 0.075006 Torr;

DOI:10.1039/b111062b

Reference yield:

cyamelluric acid (1502-46-1) → 2,5,8-trichloro-1,3,4,6,7,9,9b-heptaazaphenalene (6710-92-5)

Guidance literature:

With phosphorus pentachloride; at 218 ℃;

DOI:10.1021/ja01861a038

upstream raw materials:

cyamelluric acid

phosphorus pentachloride

melem

Downstream raw materials:

2,5,8-tri(phenyl)-1,3,4,6,7,9,9b-heptaazaphenalene

2,5-bis(diphenylamino)-8-(diethylamino)-1,3,4,6,7,9,9b-heptaazaphenalene

2,5,8-tris(diphenylamino)-1,3,4,6,7,9,9b-heptaazaphenalene