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

Base Information

• Chemical Name: 1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triamine
• CAS No.: 1502-47-2
• Molecular Formula: C6H6N10
• Molecular Weight: 218.181
• European Community (EC) Number: 216-122-4
• UNII: WP6U3U42XL
• DSSTox Substance ID: DTXSID40164493
• Nikkaji Number: J33.264J
• Wikipedia: Melem
• Wikidata: Q1919260
• Metabolomics Workbench ID: 55765
• Mol file: 1502-47-2.mol

Synonyms:1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8-triamine;Cyamelurotriamide;Triamino-s-heptazine;1,3,4,6,7,9,9b-Heptaazaphenalene, 2,5,8-triamino- (6CI,7CI,8CI);

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

Chemical Property:

• Vapor Pressure: 5.95E-08mmHg at 25°C
• Refractive Index: 2.78
• Boiling Point: 440.311 °C at 760 mmHg
• PKA: -0.74±0.20(Predicted)
• Flash Point: 220.093 °C
• PSA: 159.81000
• Density: 2.984 g/cm³
• LogP: -0.04730
• Water Solubility.: 930μg/L at 20℃
• XLogP3: -2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 218.07769023
• Heavy Atom Count: 16
• Complexity: 546

Purity/Quality:

99.9% ^*data from raw suppliers

Melem 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=NC2=NC(=N)N=C3N2C(=NC(=N3)N)N1)N
• Uses: 1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triamine can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.

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

There total 22 articles about 1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triamine 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: 96.0%

2,4,6-triamino-s-triazine (108-78-1,25778-04-5,94977-27-2) → melem (1502-47-2)

Guidance literature:

With ammonia; at 250 - 385 ℃; for 24h;

DOI:10.1039/c7ta06515a

Reference yield:

trithiocyanuric acid (638-16-4) → carbon disulfide (75-15-0,12122-00-8) + thiocyanic acid (463-56-9) + melem (1502-47-2)

Guidance literature:

at 360 ℃;

Reference yield:

urea (57-13-6) → 2,4,6-triamino-s-triazine (108-78-1,25778-04-5,94977-27-2) + isocyanic acid (75-13-8) + melem (1502-47-2)

Guidance literature:

aluminum oxide; at 400 ℃; under 2250.23 Torr;

upstream raw materials:

ammonium thiocyanate

trithiocyanuric acid

2,4,6-triamino-s-triazine

dicyandiamide

Downstream raw materials:

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

ammelide

ammonia

cyanuric acid

Refernces

• 1、 Coulson, Ben,Isaacs, Mark,Lari, Leonardo,Douthwaite, Richard E.,Duhme-Klair, Anne-K.. "Carbon nitride as a ligand: Edge-site coordination of ReCl(CO)3-fragments to g-C3N4". . p. 7450 - 7453. Retrieved 2019.
• 2、 Li, Qianqian,Jiang, Jing,Lin, Bin,Ding, De,Xu, Hai,Wang, Pingshan,Chen, Yin. "Understanding the Surface of g-C3N4, an Experimental Investigation of the Catalytic Active Site on the Interface". . p. 3296 - 3303. Retrieved 2019.
• 3、 Lau, Vincent Wing-Hei,Mesch, Maria B.,Duppel, Viola,Blum, Volker,Senker, Jürgen,Lotsch, Bettina V.. "Low-molecular-weight carbon nitrides for solar hydrogen evolution". . p. 1064 - 1072. Retrieved 2015.
• 4、 Sattler, Andreas,Schoenberger, Stefanie,Schnick, Wolfgang. "Melemium Methylsulfonates HC6N7(NH 2)SH2C6N7(NH2)S(SO 3Me)3·H2O and H2C 6N7(NH2)3(SO3Me) 2·H2O". . p. 476 - 482. Retrieved 2010.
• 5、 Juergens, Barbara,Irran, Elisabeth,Senker, Juergen,Kroll, Peter,Mueller, Helen,Schnick, Wolfgang. "Melem (2,5,8-triamino-tri-s-triazine), an important intermediate during condensation of melamine rings to graphitic carbon nitride: Synthesis, structure determination by x-ray powder diffractometry, solid-state NMR, and theoretical studies". . p. 10288 - 10300. Retrieved 2003.
• 6、 Wei, Xiaoqing,Qiu, Yu,Duan, Weiyuan,Liu, Zhengxin. "Cathodic and anodic photocurrents generation from melem and its derivatives". . p. 26675 - 26679. Retrieved 2015.
• 7、 Lotsch, Bettina V.,Doeblinger, Markus,Sehnert, Jan,Seyfarth, Lena,Senker, Juergen,Oeckler, Oliver,Schnick, Wolfgang. "Unmasking melon by a complementary approach employing electron diffraction, solid-state NMR spectroscopy, and theoretical calculations - Structural characterization of a carbon nitride polymer". . p. 4969 - 4980. Retrieved 2007.
• 8、 Ni, Dongya,Zhang, Yuye,Shen, Yanfei,Liu, Songqin,Zhang, Yuanjian. "Promoting condensation kinetics of polymeric carbon nitride for enhanced photocatalytic activities". . . Retrieved 2019/05/29.