3-Fluorophenol

Base Information

• Chemical Name: 3-Fluorophenol
• CAS No.: 372-20-3
• Molecular Formula: C6H5FO
• Molecular Weight: 112.104
• Hs Code.: 29081000
• European Community (EC) Number: 206-748-6
• NSC Number: 87078
• UNII: T7OMA38487
• DSSTox Substance ID: DTXSID70190684
• Nikkaji Number: J110.444F
• Wikidata: Q27289779
• ChEMBL ID: CHEMBL57342
• Mol file: 372-20-3.mol

Synonyms:3-fluorophenol;m-fluorophenol

Chemical Property of 3-Fluorophenol

Chemical Property:

• Appearance/Colour: colourless to light yellow liquid
• Vapor Pressure: 0.749mmHg at 25°C
• Melting Point: 8-12 °C(lit.)
• Refractive Index: n20/D 1.514(lit.)
• Boiling Point: 178 °C at 760 mmHg
• PKA: 9.29(at 25℃)
• Flash Point: 71.1 °C
• PSA: 20.23000
• Density: 1.217 g/cm³
• LogP: 1.53130
• Storage Temp.: 2-8°C
• Water Solubility.: insoluble
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 112.032442941
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

99% ^*data from raw suppliers

3-Fluorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi,C
• Hazard Codes: Xn,Xi,C,T
• Statements: 20/21/22-36/37/38-41-37/38-25
• Safety Statements: 28-36/37-36-26-45-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: C1=CC(=CC(=C1)F)O
• Uses: 3-Fluorophenol is a reactant used in organic synthesis.

Technology Process of 3-Fluorophenol

There total 46 articles about 3-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: 99.0%

m-Hydroxyaniline (591-27-5) → 3-fluorophenol (372-20-3)

Guidance literature:

With pyridine hydrogenfluoride; sodium nitrite; 1.) O deg C, 20 min, 2.) 60 deg C, 1 h;

DOI:10.1016/0040-4020(95)00867-8

Reference yield: 94.3%

meta-fluoroaniline (372-19-0) → 3-fluorophenol (372-20-3)

Guidance literature:

With sulfuric acid; sodium nitrite; at 12.5 - 92 ℃;

Reference yield: 94.3%

2,6-difluorobenzoic acid (385-00-2) → 3-fluorophenol (372-20-3)

Guidance literature:

With water; sodium hydroxide; at 130 - 135 ℃; for 20h; Sealed tube;

upstream raw materials:

meta-fluoroaniline

1-fluoro-3-methoxybenzene

1-ethoxy-3-fluorobenzene

m-Hydroxyaniline

Downstream raw materials:

3-nitro-benzenesulfonic acid-(3-fluoro-phenyl ester)

1-(3-fluoro-phenoxy)-propan-2-ol

1-fluoro-3-(methoxy-methoxy)benzene

2-fluoro-L-tyrosine

Refernces

• 1、 Pan, Wenjing,Li, Chenchen,Zhu, Haoyin,Li, Fangfang,Li, Tao,Zhao, Wanxiang. "A mild and practical method for deprotection of aryl methyl/benzyl/allyl ethers with HPPh2andtBuOK". . p. 7633 - 7640. Retrieved 2021/09/22.
• 2、 -. "Synthesis method of fluorine-containing phenol structure compound". Paragraph 0033-0034. . Retrieved 2021/03/13.