6-Phenyl-1,3,5-triazine-2,4-diamine

Base Information

• Chemical Name: 6-Phenyl-1,3,5-triazine-2,4-diamine
• CAS No.: 91-76-9
• Deprecated CAS: 26676-98-2,1426672-77-6
• Molecular Formula: C9H9N5
• Molecular Weight: 187.204
• Hs Code.: 29336980
• European Community (EC) Number: 202-095-6
• ICSC Number: 1680
• NSC Number: 3267
• UNII: B9E2Q3VTUB
• DSSTox Substance ID: DTXSID1020142
• Nikkaji Number: J4.346J
• Wikipedia: Benzoguanamine
• Wikidata: Q27274545
• ChEMBL ID: CHEMBL337319
• Mol file: 91-76-9.mol

Synonyms:6-phenyl-1,3,5-triazine-2,4-diamine

Chemical Property of 6-Phenyl-1,3,5-triazine-2,4-diamine

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 5.71E-10mmHg at 25°C
• Melting Point: 219-221 °C(lit.)
• Refractive Index: 1.698
• Boiling Point: 495.8 °C at 760 mmHg
• PKA: 4.22±0.10(Predicted)
• Flash Point: 285.8 °C
• PSA: 90.71000
• Density: 1.347 g/cm³
• LogP: 1.86540
• Storage Temp.: Store below +30°C.
• Solubility.: 0.3g/l
• Water Solubility.: 320mg/L at 25℃
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 187.08579531
• Heavy Atom Count: 14
• Complexity: 170

Purity/Quality:

99.9% ^*data from raw suppliers

6-Phenyl-1,3,5-triazine-2,4-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-52/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Triazines
• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N
• Inhalation Risk: A nuisance-causing concentration of airborne particles can be reached quickly when dispersed, especially if powdered.
• Effects of Short Term Exposure: The substance is mildly irritating to the eyes.
• Uses: In the manufacture of thermosetting resins, pesticides, pharmaceuticals and dyestuffs.

Technology Process of 6-Phenyl-1,3,5-triazine-2,4-diamine

There total 18 articles about 6-Phenyl-1,3,5-triazine-2,4-diamine 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%

metformin hydrochloride (1115-70-4) + benzonitrile (100-47-0) → benzoguanamine (91-76-9)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; at 80 ℃; Reagent/catalyst; Solvent;

Reference yield: 94.0%

benzonitrile (100-47-0) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → benzoguanamine (91-76-9)

Guidance literature:

With sodium hydroxide; In butan-1-ol; at 115 - 120 ℃; Reagent/catalyst;

Reference yield: 88.0%

imidodicarbonimidic diamide hydrochloride (4761-93-7) + benzonitrile (100-47-0) → benzoguanamine (91-76-9)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 80 ℃;

upstream raw materials:

CYANAMID

N¹-benzoyl-N³-cyanoguanidine

biguanide sulfate

benzoyl chloride

Downstream raw materials:

7-isopropyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-ylamine

2,7-diphenylimidazo[1,2-a][1,3,5]triazin-4-ylamine

7-methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-4-ylamine

7-ethyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-ylamine

Refernces

• 1、 Delbosc, Nicolas,Reynes, Mathias,Dautel, Olivier J.,Wantz, Guillaume,Lere-Porte, Jean-Pierre,Moreau, Joel J. E.. "Control of the aggregation of a phenylenevinylenediimide chromophore by use of supramolecular chemistry: Enhanced electroluminescence in supramolecular organic devices". . p. 5258 - 5270. Retrieved 2010.
• 2、 Bugarin, Alejandro,Joshi, Shrinivas D.,Lewis, Abby M.,Noonikara-Poyil, Anurag,Patil, Shivaputra A.,Patil, Siddappa A.,Patil, Vikrant. "Synthesis, molecular docking studies, and in vitro evaluation of 1,3,5-triazine derivatives as promising antimicrobial agents". . . Retrieved 2020/07/02.