4-FLUORO-3-HYDROXYBENZONITRILE 98

Base Information

• Chemical Name: 4-FLUORO-3-HYDROXYBENZONITRILE 98
• CAS No.: 186590-04-5
• Molecular Formula: C₇H₄FNO
• Molecular Weight: 137.113
• Hs Code.: 2926909090
• Mol file: 186590-04-5.mol

Synonyms:5-Cyano-2-fluorophenol;

Chemical Property of 4-FLUORO-3-HYDROXYBENZONITRILE 98

Chemical Property:

• Vapor Pressure: 0.0245mmHg at 25°C
• Melting Point: 69-72 °C
• Refractive Index: 1.558
• Boiling Point: 240.4 °C at 760mmHg
• Flash Point: 99.2 °C
• PSA: 44.02000
• Density: 1.34 g/cm³
• LogP: 1.40298
• Storage Temp.: Keep Cold

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Fluoro-3-hydroxybenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-FLUORO-3-HYDROXYBENZONITRILE 98

There total 2 articles about 4-FLUORO-3-HYDROXYBENZONITRILE 98 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: 96.0%

4-fluoro-3-methoxybenzonitrile (243128-37-2) → 4-fluoro-3-hydroxy benzonitrile (186590-04-5)

Guidance literature:

4-fluoro-3-methoxybenzonitrile; With lithium chloride; In N,N-dimethyl-formamide; at 160 ℃;

With hydrogenchloride; In water; N,N-dimethyl-formamide;

DOI:10.1021/jm201134m

Reference yield: 96.0%

→ 4-fluoro-3-hydroxy benzonitrile (186590-04-5)

Guidance literature:

With lithium chloride; In N,N-dimethyl-formamide; for 16h; Reflux;

Reference yield: 96.0%

4-fluoro-3-hydroxy benzonitrile (186590-04-5) + methyl iodide (74-88-4) → 4-fluoro-3-methoxybenzonitrile (243128-37-2)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 2h;

upstream raw materials:

4-fluoro-3-methoxybenzonitrile

Refernces

• 1、 -. "FLUOROPHENYL PYRAZOL COMPOUNDS". Page/Page column 7. . Retrieved 2015/07/07.
• 2、 Bollini, Mariela,Domaoal, Robert A.,Thakur, Vinay V.,Gallardo-Macias, Ricardo,Spasov, Krasimir A.,Anderson, Karen S.,Jorgensen, William L.. "Computationally-guided optimization of a docking hit to yield catechol diethers as potent anti-HIV agents". supporting information; experimental part. p. 8582 - 8591. Retrieved 2012/02/02.