3-Chloro-2-fluorophenol

Base Information

• Chemical Name: 3-Chloro-2-fluorophenol
• CAS No.: 2613-22-1
• Molecular Formula: C6H4ClFO
• Molecular Weight: 146.549
• Hs Code.: 2908199090
• European Community (EC) Number: 670-688-0
• DSSTox Substance ID: DTXSID50378660
• Wikidata: Q72451041
• Mol file: 2613-22-1.mol

Synonyms:3-Chloro-2-fluorophenol;2613-22-1;Phenol, 3-chloro-2-fluoro-;3-Chloro-2-fluoro-phenol;MFCD01631572;2-fluoro-3-chloro-phenol;SCHEMBL912023;DTXSID50378660;PCHPYNHSMSAJEU-UHFFFAOYSA-N;BBL102698;STL556503;3-Chloro-2-fluorophenol, AldrichCPR;AKOS009159502;AC-3772;AM61418;CS-W018221;PS-8943;4-VINYL-13-DIOXOLAN-2-ONE99;SY023176;FT-0656160;A19857;EN300-106502;J-016269

Chemical Property of 3-Chloro-2-fluorophenol

Chemical Property:

• Vapor Pressure: 0.377mmHg at 25°C
• Melting Point: 34-38℃
• Refractive Index: 1.547
• Boiling Point: 191.119 °C at 760 mmHg
• PKA: 7.74±0.10(Predicted)
• Flash Point: 69.386 °C
• PSA: 20.23000
• Density: 1.409 g/cm³
• LogP: 2.18470
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 145.9934706
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

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

3-Chloro-2-fluorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: T,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)F)O
• Uses: 3-Chloro-2-fluorophenol are employed in the preparation of resins, dyes, explosives, lubricants, and plastics. Also they are are endowed with antioxidant property and are used as antioxidants in many formulations such as pharmaceuticals, cosmetics, electrical transformer oil, solvents, and organic reactions.

Technology Process of 3-Chloro-2-fluorophenol

There total 4 articles about 3-Chloro-2-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: 60.0%

1-chloro-2-fluoro-3-methoxy-benzene (261762-56-5) → 2-fluoro-3-chlorophenol (2613-22-1)

Guidance literature:

With hydrogen bromide; at 100 - 110 ℃; for 7h;

Reference yield:

3-chloro-2-fluoroaniline (2106-04-9) → 2-fluoro-3-chlorophenol (2613-22-1)

Guidance literature:

With sulfuric acid; sodium nitrite; Erhitzen des Reaktionsgemisches mit Kupfer(II)-sulfat und wss. Schwefelsaeure auf 170grad;

DOI:10.1021/ja01510a021

Reference yield:

1,2-Dichloro-3-nitrobenzene (3209-22-1) → 2-fluoro-3-chlorophenol (2613-22-1)

Guidance literature:

Multi-step reaction with 3 steps

1: dimethylformamide; potassium fluoride / 150 °C

2: iron

3: sulfuric acid; sodium nitrite / Erhitzen des Reaktionsgemisches mit Kupfer(II)-sulfat und wss. Schwefelsaeure auf 170grad

With potassium fluoride; sulfuric acid; iron; N,N-dimethyl-formamide; sodium nitrite;

DOI:10.1021/ja01510a021

upstream raw materials:

3-chloro-2-fluoroaniline

1,2-Dichloro-3-nitrobenzene

1-chloro-2-fluoro-3-nitrobenzene

1-chloro-2-fluoro-3-methoxy-benzene

Downstream raw materials:

1-(benzyloxy)-3-chloro-2-fluorobenzene

4-(4-chloro-3-fluoro-2-hydroxy-phenyl)-4-oxo-butyric acid

Refernces