2,3,4,5,6-Pentafluorobenzhydrol

Base Information

• Chemical Name: 2,3,4,5,6-Pentafluorobenzhydrol
• CAS No.: 1944-05-4
• Molecular Formula: C13H7 F5 O
• Molecular Weight: 274.19
• Hs Code.: 29062990
• European Community (EC) Number: 217-741-2
• DSSTox Substance ID: DTXSID70941173
• Nikkaji Number: J199.761K
• Mol file: 1944-05-4.mol

Synonyms:2,3,4,5,6-Pentafluorobenzhydrol;1944-05-4;PENTAFLUOROBENZHYDROL;(2,3,4,5,6-pentafluorophenyl)-phenylmethanol;(2,3,4,5,6-Pentafluorophenyl)(phenyl)methanol;(perfluorophenyl)(phenyl)methanol;(pentafluorophenyl)(phenyl)methanol;SCHEMBL5873438;DTXSID70941173;EINECS 217-741-2;Butanedioyl dichloride, 2-methylene-;MFCD00004489;AKOS009159011;2,3,4,5,6-Pentafluorobenzhydryl alcohol;CS-0328411;FT-0609326;FT-0676138;(2,3,4,5,6-Pentafluorophenyl)(phenyl)methanol #;J-012592

Chemical Property of 2,3,4,5,6-Pentafluorobenzhydrol

Chemical Property:

• Vapor Pressure: 0.00154mmHg at 25°C
• Melting Point: 54 °C
• Boiling Point: 115 °C
• Flash Point: 128.1°C
• PSA: 20.23000
• Density: 1.457g/cm³
• LogP: 3.46380
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 274.04170565
• Heavy Atom Count: 19
• Complexity: 281

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=C(C(=C(C(=C2F)F)F)F)F)O

Technology Process of 2,3,4,5,6-Pentafluorobenzhydrol

There total 12 articles about 2,3,4,5,6-Pentafluorobenzhydrol 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: 92.0%

benzaldehyde (100-52-7) + 4,4,5,5-tetramethyl-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-dioxaborolane (325142-81-2) → 2,3,4,5,6-pentafluoro-α-phenylbenzenemethanol (1944-05-4)

Guidance literature:

With potassium carbonate; In toluene; at 60 ℃; for 36h; Reagent/catalyst; Solvent; Glovebox; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.202103686

Reference yield: 89.0%

1,2,3,4,5-pentafluoro-6-iodobenzene (827-15-6) + benzaldehyde (100-52-7) → 2,3,4,5,6-pentafluoro-α-phenylbenzenemethanol (1944-05-4)

Guidance literature:

With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 5h; Inert atmosphere;

DOI:10.1002/anie.202012760

Reference yield: 80.0%

pentafluorophenyl lithium (1076-44-4) + benzaldehyde (100-52-7) → 2,3,4,5,6-pentafluoro-α-phenylbenzenemethanol (1944-05-4)

Guidance literature:

In diethyl ether; reaction at 0°C, 1 hour;;

DOI:10.1039/jr9620003227

upstream raw materials:

trimethyl(pentafluorophenyl)silane

benzaldehyde

bromopentafluorobenzene

pentafluorophenyl lithium

Downstream raw materials:

2,3,5,6-tetrafluoroanisole

2,3,4,5,6-pentafluorobenzophenone