3,4,5,6-Tetrafluorobenzene-1,2-diol

Base Information

• Chemical Name: 3,4,5,6-Tetrafluorobenzene-1,2-diol
• CAS No.: 1996-23-2
• Molecular Formula: C6H2F4O2
• Molecular Weight: 182.074
• Hs Code.: 2908199090
• European Community (EC) Number: 806-772-2
• DSSTox Substance ID: DTXSID00381169
• Nikkaji Number: J1.164.038I
• Wikidata: Q72505074
• Mol file: 1996-23-2.mol

Synonyms:1996-23-2;3,4,5,6-Tetrafluorobenzene-1,2-diol;TETRAFLUOROBENZENE-1,2-DIOL;Tetrafluoro-1,2-benzenediol;TETRAFLUOROCATECHOL;3,4,5,6-tetrafluoro-1,2-benzenediol;tetrafluoropyrocatechol;1,2-Benzenediol, 3,4,5,6-tetrafluoro-;EC-000.1816;SCHEMBL986098;DTXSID00381169;BCP33175;MFCD01075279;AKOS005064117;AS-34999;CS-0157956;FT-0633959;A20728

Chemical Property of 3,4,5,6-Tetrafluorobenzene-1,2-diol

Chemical Property:

• Vapor Pressure: 0.0204mmHg at 25°C
• Melting Point: 68-69 °C
• Refractive Index: 1.493
• Boiling Point: 187.3 °C at 760 mmHg
• PKA: 6.29±0.33(Predicted)
• Flash Point: 67.1 °C
• PSA: 40.46000
• Density: 1.719 g/cm³
• LogP: 1.65420
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 181.99909195
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99%, ^*data from raw suppliers

Tetrafluorobenzene-1,2-diol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4,5,6-Tetrafluorobenzene-1,2-diol

There total 4 articles about 3,4,5,6-Tetrafluorobenzene-1,2-diol 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:

pyridine (110-86-1) + Hexafluorobenzene (392-56-3) + ethanol (64-17-5) → 2,3,4,5,6-pentafluorophenol (771-61-9) + ethoxy pentafluorobenzene (776-39-6) + 3,4,5,6-tetrafluorobenzene-1,2-diol (1996-23-2) + 1,4,5,6-Tetrafluor-2,3-diethoxy-benzol (16250-99-0)

Guidance literature:

DOI:10.1039/jr9590000013

Reference yield:

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + tetrafluoro-1,2-benzoquinone (1423-12-7) → 2,3,4,5-tetrafluoro-6-((tetrahydrofuran-2-yl)oxy)phenol (1374518-12-3) + 3,4,5,6-tetrafluorobenzene-1,2-diol (1996-23-2)

Guidance literature:

for 0.5h; Irradiation;

DOI:10.1021/jo300506e

Reference yield:

diethyl ether (60-29-7,927820-24-4) + tetrafluoro-1,2-benzoquinone (1423-12-7) → 2-(1-ethoxyethoxy)-3,4,5,6-tetrafluorophenol (1374518-16-7) + 3,4,5,6-tetrafluorobenzene-1,2-diol (1996-23-2)

Guidance literature:

for 0.5h; Irradiation;

DOI:10.1021/jo300506e

upstream raw materials:

pyridine

Hexafluorobenzene

ethanol

tetrahydrofuran

Downstream raw materials:

2-(2,4-difluorophenyl)-tetrafluoro-1,3,2-benzodioxaborole

2-(2-trifluoromethyl phenyl)-tetrafluoro-1,3,2-benzodioxaborole

2,3,4,5-tetrafluoro-6-(1-hexyl-1H-indol-3-yl)-6-hydroxycyclohexa-2,4-dienone

2,3,4,5-tetrafluoro-6-hydroxy-6-(1-methyl-1H-pyrrol-2-yl)-cyclohexa-2,4-dienone

Refernces