3,6-Difluoro-2-nitrophenol

Base Information

• Chemical Name: 3,6-Difluoro-2-nitrophenol
• CAS No.: 139548-97-3
• Molecular Formula: C6H3F2NO3
• Molecular Weight: 175.092
• Hs Code.: 2908999090
• DSSTox Substance ID: DTXSID70437445
• Wikidata: Q82252935
• Mol file: 139548-97-3.mol

Synonyms:3,6-DIFLUORO-2-NITROPHENOL;139548-97-3;Phenol, 3,6-difluoro-2-nitro-;SCHEMBL103726;DTXSID70437445;CL9042;MFCD22042170;DS-8684;CS-0157180

Chemical Property of 3,6-Difluoro-2-nitrophenol

Chemical Property:

• PSA: 66.05000
• LogP: 2.10180
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 175.00809928
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

98% ^*data from raw suppliers

3,6-Difluoro-2-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1F)[N+](=O)[O-])O)F

Technology Process of 3,6-Difluoro-2-nitrophenol

There total 1 articles about 3,6-Difluoro-2-nitrophenol 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:

2,5-difluorophenol (2713-31-7) → 2,5-difluoro-6-nitrophenol (139548-97-3)

Guidance literature:

With sulfuric acid; nitric acid; a) RT, overnight, b) 60 deg C, 5 h;

DOI:10.1021/jm00099a007

Reference yield: 85.0%

2,5-difluoro-6-nitrophenol (139548-97-3) → 2-Amino-3,6-diflourophenol (139548-98-4)

Guidance literature:

With hydrogen; platinum on activated charcoal; In ethanol; acetic acid; Ambient temperature;

DOI:10.1021/jm00099a007

upstream raw materials:

2,5-difluorophenol

Downstream raw materials:

2-Amino-3,6-diflourophenol

Refernces