2-Amino-3,6-difluorophenol

Base Information

• Chemical Name: 2-Amino-3,6-difluorophenol
• CAS No.: 139548-98-4
• Molecular Formula: C6H5 F2 N O
• Molecular Weight: 145.109
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID901311574
• Mol file: 139548-98-4.mol

Synonyms:2-Amino-3,6-difluorophenol;139548-98-4;Phenol, 2-amino-3,6-difluoro- (9CI);2-Amino-3,6-diflourophenol;SCHEMBL102976;HVQKZMKMEQLRJT-UHFFFAOYSA-N;DTXSID901311574;AKOS006359913;SB75542

Chemical Property of 2-Amino-3,6-difluorophenol

Chemical Property:

• PSA: 46.25000
• LogP: 1.83380
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 145.03392011
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

2-Amino-3,6-difluorophenol ^*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)F

Technology Process of 2-Amino-3,6-difluorophenol

There total 2 articles about 2-Amino-3,6-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: 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

Reference yield:

2,5-difluorophenol (2713-31-7) → 2-Amino-3,6-diflourophenol (139548-98-4)

Guidance literature:

Multi-step reaction with 2 steps

1: conc. H₂SO₄, 20percent fuming H₂SO₄, conc. HNO₃ / a) RT, overnight, b) 60 deg C, 5 h

2: 85 percent / H₂ / 5percent Pt/C / ethanol; acetic acid / Ambient temperature

With sulfuric acid; hydrogen; nitric acid; platinum on activated charcoal; In ethanol; acetic acid;

DOI:10.1021/jm00099a007

upstream raw materials:

2,5-difluoro-6-nitrophenol

2,5-difluorophenol

Refernces