as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-

Base Information

• Chemical Name: as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-
• CAS No.: 69466-62-2
• Molecular Formula: C11H8F3N3S
• Molecular Weight: 271.266
• DSSTox Substance ID: DTXSID10219646
• Nikkaji Number: J91.034A
• Wikidata: Q83096612
• Mol file: 69466-62-2.mol

Synonyms:69466-62-2;BRN 0751501;as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-;1,2,4-Triazine, 3-(methylthio)-5-(3-(trifluoromethyl)phenyl)-;3-(Methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-as-triazine;3-methylthio-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-1,2,4-triazine;C11H8F3N3S;SCHEMBL11278322;DTXSID10219646;LS-155476

Chemical Property of as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-

Chemical Property:

• Vapor Pressure: 1.83E-06mmHg at 25°C
• Melting Point: 123-124 °C(Solv: hexane (110-54-3))
• Boiling Point: 407°Cat760mmHg
• PKA: 0.82±0.63(Predicted)
• Flash Point: 199.9°C
• PSA: 63.97000
• Density: 1.42g/cm³
• LogP: 3.27930
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 271.03910293
• Heavy Atom Count: 18
• Complexity: 275

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC(=CN=N1)C2=CC(=CC=C2)C(F)(F)F

Technology Process of as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-

There total 1 articles about as-Triazine, 3-(methylthio)-5-(alpha,alpha,alpha-trifluoro-m-tolyl)- 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:

→ 3-methylthio-5-(α,α,α-trifluoro-m-tolyl)-1,2,4-triazine (69466-62-2)

Guidance literature:

/BRN= 640151/, 1.) SeO2 2.) HN=C(-SCH3)-NH-NH2;

DOI:10.1021/jm00192a012

Reference yield: 63.4%

3-methylthio-5-(α,α,α-trifluoro-m-tolyl)-1,2,4-triazine (69466-62-2) → 3-methoxy-5-(3-trifluoromethyl-phenyl)-[1,2,4]triazine (69466-54-2)

Guidance literature:

With sodium; In methanol;

Reference yield:

3'-(trifluoromethyl)acetophenone (349-76-8) + 3-methylthio-5-(α,α,α-trifluoro-m-tolyl)-1,2,4-triazine (69466-62-2) → 3-hydrazino-5-(α,α,α-trifluoro-m-tolyl)-1,2,4-triazine (69467-01-2)

Guidance literature:

With hydrazine; In tetrahydrofuran; methanol;

Downstream raw materials:

3-methoxy-5-(3-trifluoromethyl-phenyl)-[1,2,4]triazine

3-hydrazino-5-(α,α,α-trifluoro-m-tolyl)-1,2,4-triazine

3-methyl-7-(3-trifluoromethyl-phenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine

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