4-Fluorophenol

Base Information

• Chemical Name: 4-Fluorophenol
• CAS No.: 371-41-5
• Molecular Formula: C6H5FO
• Molecular Weight: 112.104
• Hs Code.: 29081000
• European Community (EC) Number: 206-736-0
• NSC Number: 10295
• UNII: K6DT6TR5E5
• DSSTox Substance ID: DTXSID0052047
• Nikkaji Number: J34.560A
• Wikidata: Q27460393,Q83046047
• ChEMBL ID: CHEMBL56226
• Mol file: 371-41-5.mol

Synonyms:4-06-00-00773 (Beilstein Handbook Reference);Phenol, 4-fluoro-;Phenol, p-fluoro-;p-fluorophenol;

Chemical Property of 4-Fluorophenol

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.569mmHg at 25°C
• Melting Point: 43-46 °C(lit.)
• Refractive Index: 1.523
• Boiling Point: 183.3 °C at 760 mmHg
• PKA: 9.89(at 25℃)
• Flash Point: 74.8 °C
• PSA: 20.23000
• Density: 1.217 g/cm³
• LogP: 1.53130
• Storage Temp.: Store below +30°C.
• Solubility.: 80g/l
• Water Solubility.: 50 g/L
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 112.032442941
• Heavy Atom Count: 8
• Complexity: 66.9

Purity/Quality:

99.00%-99.5% ^*data from raw suppliers

4-Fluorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, C, T, T+
• Hazard Codes: Xn,C,T,F+
• Statements: 20/21/22-36/37/38-52/53
• Safety Statements: 26-37/39-61-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: C1=CC(=CC=C1O)F
• Uses: Intermediates of Liquid Crystals 4-Fluorophenol is a fluorinated phenolic compound with various applications as an starting reagent for the synthesis of pharmaceutical goods. It is widely used intermediate in the industrial production of pharmaceuticals cisapride and Sabeluzole from Janssen, Sorbinil from Pfizer, Progabide from Synthelabo.

Technology Process of 4-Fluorophenol

There total 189 articles about 4-Fluorophenol 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: 100.0%

4-fluoroboronic acid (1765-93-1) → 4-Fluorophenol (371-41-5)

Guidance literature:

With dihydrogen peroxide; Ti_0.97Ni_0.03O_1.97; In water; at 20 ℃; for 0.05h; Reagent/catalyst; Catalytic behavior;

DOI:10.1039/d1dt02293h

Reference yield: 100.0%

1-allyloxy-4-fluorobenzene (13990-72-2) → 4-Fluorophenol (371-41-5)

Guidance literature:

With ethylmagnesium chloride; iron(II) chloride; In tetrahydrofuran; m-xylene; at 20 ℃; for 1h;

DOI:10.1039/c3cy00266g

Reference yield: 97.0%

4-fluoroboronic acid (1765-93-1) + dihydrogen peroxide (7722-84-1) → 4-Fluorophenol (371-41-5)

Guidance literature:

With ammonium bicarbonate; In water; at 20 ℃; for 2h; Schlenk technique;

DOI:10.1016/j.cclet.2014.03.018

upstream raw materials:

n-butyl magnesium bromide

phosgene

diethyl ether

1-(4-fluorophenoxy)-3-methylbenzene

Downstream raw materials:

3-(4-fluoro-phenoxy)propionic acid

2-(4-fluorophenoxy)-ethylbromide

1-(3-chloropropoxy)-4-fluorobenzene

4-fluorophenyl acetate

Refernces

• 1、 Weston,Suter. "-". . p. 2556. Retrieved 1939.
• 2、 Dong, Zhenhua,Liu, Mengmeng,Pan, Hongguo. "Catalyst-free rapid conversion of arylboronic acids to phenols under green condition". . . Retrieved 2021/09/06.
• 3、 Zhang, Haowen,Zhang, Xiao,Zheng, Ying,Zhou, Cen. "Isotruxene-based porous polymers as efficient and recyclable photocatalysts for visible-light induced metal-free oxidative organic transformations". supporting information. p. 8878 - 8885. Retrieved 2021/11/27.