4-Chloro-3,5-difluorophenol

Base Information

• Chemical Name: 4-Chloro-3,5-difluorophenol
• CAS No.: 2268-03-3
• Molecular Formula: C₆H₃ClF₂O
• Molecular Weight: 164.539
• Hs Code.: 2908199090
• European Community (EC) Number: 964-974-7
• DSSTox Substance ID: DTXSID60598817
• Wikidata: Q72518386
• Mol file: 2268-03-3.mol

Synonyms:4-CHLORO-3,5-DIFLUOROPHENOL;3,5-Difluoro-4-chlorophenol;2268-03-3;4-chloro-3,5-difluoro-phenol;SCHEMBL758610;3,5-Difluoro-4-Chloro Phenol;DTXSID60598817;OEBQPSQPCDHCKT-UHFFFAOYSA-N;Phenol, 4-chloro-3,5-difluoro-;MFCD06658279;4-chloranyl-3,5-bis(fluoranyl)phenol;AKOS005063841;AC-3769;AM61849;JS-5106;DB-045964;EN300-6731336;A816307;J-511318;Z1201623604

Chemical Property of 4-Chloro-3,5-difluorophenol

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 0.0575mmHg at 25°C
• Refractive Index: 1.522
• Boiling Point: 225.49 °C at 760 mmHg
• PKA: 7.55±0.23(Predicted)
• Flash Point: 90.173 °C
• PSA: 20.23000
• Density: 1.52 g/cm³
• LogP: 2.32380
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 163.9840487
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-3,5-difluorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)Cl)F)O

Technology Process of 4-Chloro-3,5-difluorophenol

There total 2 articles about 4-Chloro-3,5-difluorophenol 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:

4-chloro-3,5-difluorobenzenamine (2613-33-4) → 4-chloro-3,5-difluoro-phenol (2268-03-3)

Guidance literature:

With phosphoric acid; sulfuric acid; sodium nitrite; Erhitzen des Reaktionsgemisches mit Kupfer(II)-sulfat und Schwefelsaeure auf 140grad;

DOI:10.1021/ja01510a021

Reference yield:

2-chloro-1,3-difluoro-5-nitrobenzene (3828-41-9) → 4-chloro-3,5-difluoro-phenol (2268-03-3)

Guidance literature:

Multi-step reaction with 2 steps

1: SnCl₂; aqueous HCl

2: sulfuric acid; sodium nitrite; phosphoric acid / Erhitzen des Reaktionsgemisches mit Kupfer(II)-sulfat und Schwefelsaeure auf 140grad

With hydrogenchloride; phosphoric acid; sulfuric acid; tin(ll) chloride; sodium nitrite;

DOI:10.1021/ja01510a021

Reference yield:

4-chloro-3,5-difluoro-phenol (2268-03-3) + chloroacetic acid (79-11-8) → 2-(4-chloro-3,5-difluorophenoxy)acetic acid (1979-25-5)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01510a021

upstream raw materials:

4-chloro-3,5-difluorobenzenamine

2-chloro-1,3-difluoro-5-nitrobenzene

Downstream raw materials:

2-(4-chloro-3,5-difluorophenoxy)acetic acid