2,3,5,6-Tetrafluoro-4-iodophenol

Base Information

• Chemical Name: 2,3,5,6-Tetrafluoro-4-iodophenol
• CAS No.: 1998-58-9
• Molecular Formula: C6HF4IO
• Molecular Weight: 291.971
• Hs Code.: 2908199090
• DSSTox Substance ID: DTXSID40567743
• Nikkaji Number: J2.673.217D
• Wikidata: Q82453746
• Mol file: 1998-58-9.mol

Synonyms:1998-58-9;2,3,5,6-TETRAFLUORO-4-IODOPHENOL;Phenol, 2,3,5,6-tetrafluoro-4-iodo-;4-iodotetrafluorophenol;Phenol,2,3,5,6-tetrafluoro-4-iodo-;SCHEMBL26801661;DTXSID40567743;MFCD05663755;AKOS015910334

Chemical Property of 2,3,5,6-Tetrafluoro-4-iodophenol

Chemical Property:

• Vapor Pressure: 0.0779mmHg at 25°C
• Melting Point: 48-50 °C
• Refractive Index: 1.56
• Boiling Point: 220.1 °C at 760 mmHg
• PKA: 4.87±0.33(Predicted)
• Flash Point: 86.9 °C
• PSA: 20.23000
• Density: 2.303 g/cm³
• LogP: 2.55320
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 291.90082
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

98%min ^*data from raw suppliers

2,3,5,6-Tetrafluoro-4-iodophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)I)F)F)O

Technology Process of 2,3,5,6-Tetrafluoro-4-iodophenol

There total 2 articles about 2,3,5,6-Tetrafluoro-4-iodophenol 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: 60.0%

1,2,3,4,5-pentafluoro-6-iodobenzene (827-15-6) → 4-iodo-2,3,5,6-tetrafluorophenol (1998-58-9)

Guidance literature:

With potassium hydroxide; In tert-butyl alcohol; for 6.5h; Reflux;

DOI:10.1002/chem.201000717

Reference yield:

→ 4-iodo-2,3,5,6-tetrafluorophenol (1998-58-9)

Guidance literature:

Pentafluor-iod-benzol beim Erhitzen mit KOH, Py. u. wenig W.;

Reference yield: 96.0%

4-iodo-2,3,5,6-tetrafluorophenol (1998-58-9) + 4-(4-n-decyloxybenzoyloxy)benzoic acid (113840-33-8) → C30H29F4IO5

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; for 24h; Reflux;

DOI:10.1002/anie.201712781

upstream raw materials:

1,2,3,4,5-pentafluoro-6-iodobenzene

Downstream raw materials:

2,4,6-Tri-tert-butyl-4-(2,3,5,6-tetrafluoro-4-iodo-phenoxy)-cyclohexa-2,5-dienone

C₆HF₄IO*C₁₄H₁₃NO

4-(4-decyloxyphenyl)-2,3,5,6-tetrafluoroiodobenzoate

4-(4-hexoxyphenyl)-2,3,5,6-tetrafluoroiodobenzoate

Refernces

• 1、 Yamada, Shigeyuki,Morita, Masato,Agou, Tomohiro,Kubota, Toshio,Ichikawa, Takahiro,Konno, Tsutomu. "Thermoresponsive luminescence properties of polyfluorinated bistolane-type light-emitting liquid crystals". supporting information. p. 5609 - 5617. Retrieved 2018/08/17.