Cyanuric fluoride

Base Information

• Chemical Name: Cyanuric fluoride
• CAS No.: 675-14-9
• Molecular Formula: C3F3 N3
• Molecular Weight: 135.048
• Hs Code.: 2933699090
• European Community (EC) Number: 211-620-8
• NSC Number: 168386
• UN Number: 3389,1935
• UNII: 31KW4S5FBB
• DSSTox Substance ID: DTXSID6060975
• Nikkaji Number: J14.172K
• Wikipedia: Cyanuric_fluoride
• Wikidata: Q5197491
• Mol file: 675-14-9.mol

Synonyms:cyanuric fluoride

Chemical Property of Cyanuric fluoride

Chemical Property:

• Appearance/Colour: amber liquid
• Vapor Pressure: 1.58mmHg at 25°C
• Melting Point: -38ºC
• Refractive Index: 1.348
• Boiling Point: 316.1 °C at 760 mmHg
• PKA: -2.62±0.10(Predicted)
• Flash Point: 145 °C
• PSA: 38.67000
• Density: 1.652 g/cm³
• LogP: 0.28890
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Sensitive.: Moisture Sensitive
• Solubility.: Miscible with chloroform, carbon tetrachloride,ether, dioxane an
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 135.00443150
• Heavy Atom Count: 9
• Complexity: 69.3
• Transport DOT Label: Poison Inhalation Hazard Corrosive

Purity/Quality:

99.0%Min ^*data from raw suppliers

2,?4,?6-?Trifluoro-s-triazine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T+,C,T
• Statements: 24-26-35
• Safety Statements: 26-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Organic Compounds
• Canonical SMILES: C1(=NC(=NC(=N1)F)F)F
• Uses: Cyanuric fluoride acts as a fluorinating agent used in the conversion of carboxylic acids into acyl fluorides. It is used as a precursor for fibre-reactive dyes. It is a specific reagent for tyrosine residues in enzyme. Further, it is involved in the preparation of cyanuric acid by hydrolysis

Technology Process of Cyanuric fluoride

There total 43 articles about Cyanuric fluoride 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: 97.0%

1,3,5-trichloro-2,4,6-triazine (108-77-0) → trifluoro-[1,3,5]triazine (675-14-9)

Guidance literature:

With sulfolane; sodium fluoride; at 150 ℃; Reagent/catalyst; Large scale;

Reference yield: 91.0%

1,3,5-trichloro-2,4,6-triazine (108-77-0) + antimony(III) fluoride (7783-56-4) → trifluoro-[1,3,5]triazine (675-14-9)

Guidance literature:

With antimony(III) chloride; chlorine; 160-180°C, 10 mol SbF3, 1 mol SbCl3, 3 mol Cl2;

DOI:10.1021/ja01523a069

Reference yield: 75.0%

4-N,N-dichloroamino-2,3,5,6-tetrafluoropyridine (57310-43-7) → trifluoro-[1,3,5]triazine (675-14-9) + 4-chloro-2,3,5,6-tetrafluoropyridine (52026-98-9) + Pentafluoropyridine (700-16-3) + trichlorofluoromethane (75-69-4) + 2-chloro-3,3-difluoro-acrylonitrile (667-42-5) + tetrafluoropyrazine (13177-77-0)

Guidance literature:

at 550 ℃; under 2 Torr; Mechanism; vacuum pyrolysis, other fluoropyridine compounds;

DOI:10.1016/S0022-1139(00)85266-5

upstream raw materials:

1,3,5-trichloro-2,4,6-triazine

4,5,6-trifluoro-1,2,3-triazine

perfluoro-4,6-di-isopropyl-1,2,3-triazine

4-N,N-dichloroamino-2,3,5,6-tetrafluoropyridine

Downstream raw materials:

2,4-Bis(diethylamino)-6-fluor-s-triazin

triphenyl melamine

2,4,6-trimethoxy-1,3,5-triazine

2,4-Diamino-6-fluor-1.3.5-triazin

Refernces

• 1、 O'Connor, Patrick D.,Bin Kim,Brimble, Margaret A.. "Synthesis of (±) wine lactone and its analogues by a diels-alder approach". . p. 4405 - 4411. Retrieved 2009.
• 2、 -. "PROCESS AND DEVICE FOR PREPARING ENVIRONMENTALLY-FRIENDLY INSULATING GAS PERFLUOROALKYLNITRILE". Paragraph 0024-0025. . Retrieved 2020/04/24.
• 3、 Murray, Christopher B.,Sandford, Graham,Korn, Stewart R.. "Ionic liquids as media for nucleophilic flurination". . p. 81 - 84. Retrieved 2007/10/03.