5-Phenyl-1,2,4-triazin-3-amine

Base Information

• Chemical Name: 5-Phenyl-1,2,4-triazin-3-amine
• CAS No.: 942-60-9
• Molecular Formula: C9H8N4
• Molecular Weight: 172.189
• Hs Code.: 2933699090
• European Community (EC) Number: 875-267-7
• NSC Number: 98929
• DSSTox Substance ID: DTXSID20916194
• Nikkaji Number: J90.933E
• Wikidata: Q82887357
• Mol file: 942-60-9.mol

Synonyms:5-phenyl-1,2,4-triazin-3-amine;942-60-9;3-Amino-5-phenyl-as-triazine;as-Triazine, 3-amino-5-phenyl-;NSC 98929;1,2,4-Triazin-3-amine, 5-phenyl-;BRN 0137313;C9H8N4;5-phenyl-1,2,4-triazin-3-ylamine;4-26-00-01145 (Beilstein Handbook Reference);5-Phenyl-[1,2,4]triazin-3-ylamine;NSC98929;NCIOpen2_002085;SCHEMBL2325695;DTXSID20916194;3-Amino-5-phenyl-1,2,4-triazine;BBL021867;MFCD01679188;NSC-98929;STK894584;AKOS005144525;AT25742;SB73332;5-Phenyl-1,2,4-triazin-3(4H)-imine;LS-155069;CS-0252778;EN300-61539;AO-040/41077089;Z381019608

Chemical Property of 5-Phenyl-1,2,4-triazin-3-amine

Chemical Property:

• Vapor Pressure: 1.94E-07mmHg at 25°C
• Melting Point: 235 °C
• Boiling Point: 425.2°C at 760 mmHg
• PKA: 3.63±0.63(Predicted)
• Flash Point: 240.6°C
• PSA: 64.69000
• Density: 1.259g/cm³
• LogP: 1.70200
• Storage Temp.: -20°C, Inert atmosphere
• Solubility.: Chloroform (Slightly, Heated and Sonicated), DMSO (Slightly, Sonicated)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 172.074896272
• Heavy Atom Count: 13
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

5-Phenyl-1,2,4-triazin-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN=NC(=N2)N

Technology Process of 5-Phenyl-1,2,4-triazin-3-amine

There total 27 articles about 5-Phenyl-1,2,4-triazin-3-amine 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: 95.0%

3-chloro-5-phenyl-1,2,4-triazine (72428-36-5) → 5-phenyl-1,2,4-triazin-3-amine (942-60-9)

Guidance literature:

With ammonia; at -33 ℃; for 5h;

Reference yield: 73.0%

3-(methylsulfonyl)-5-phenyl-1,2,4-triazine (83413-00-7) → 5-phenyl-1,2,4-triazin-3-amine (942-60-9)

Guidance literature:

With ammonia; ferric nitrate; In tetrahydrofuran; at -33 ℃;

Reference yield: 71.0%

3-methylthio-5-phenyl-1,2,4-triazine (28735-27-5) → 5-phenyl-1,2,4-triazin-3-amine (942-60-9) + 3-(methylthio)-5-phenyl-4H-1,2,4-triazole (7747-19-5)

Guidance literature:

With potassium; ferric nitrate; In ammonia; at -33 ℃; for 5h;

upstream raw materials:

5-phenyl-2H-[1,2,4]triazine-3-thione

3-chloro-5-phenyl-1,2,4-triazine

para-methylbenzonitrile

3-(methylsulfonyl)-5-phenyl-1,2,4-triazine

Downstream raw materials:

3,6-diphenyl-imidazo[1,2-b][1,2,4]triazine

5-phenyl-1,2,4-triazin-3(2H)-one

5-phenyl-1,2,4-triazine

6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine