2-Nitro-6-(trifluoromethyl)phenol

Base Information

• Chemical Name: 2-Nitro-6-(trifluoromethyl)phenol
• CAS No.: 1548-62-5
• Molecular Formula: C7H4F3NO3
• Molecular Weight: 207.109
• Hs Code.: 2908999090
• DSSTox Substance ID: DTXSID40358537
• Wikidata: Q82139169
• Mol file: 1548-62-5.mol

Synonyms:2-nitro-6-(trifluoromethyl)phenol;1548-62-5;2-Hydroxy-3-nitrobenzotrifluoride;Phenol, 2-nitro-6-(trifluoromethyl)-;AJ-087/41885594;SCHEMBL103562;2-nitro-6-trifluoromethylphenol;2-trifluoromethyl-6-nitrophenol;6-trifluoromethyl-2-nitrophenol;2-Nitro-6-trifluoromethyl-phenol;DTXSID40358537;AMY28431;MFCD05155649;AKOS016005038;CS-W021734;DS-4022;FT-0701365;A809579

Chemical Property of 2-Nitro-6-(trifluoromethyl)phenol

Chemical Property:

• Melting Point: 71.2-72.0 °C
• Boiling Point: 195.1±35.0 °C(Predicted)
• PKA: 5.23±0.10(Predicted)
• PSA: 66.05000
• Density: 1.554±0.06 g/cm3(Predicted)
• LogP: 2.84240
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 207.01432748
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

98% ^*data from raw suppliers

2-Nitro-6-(trifluoromethyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Nitro-6-(trifluoromethyl)phenol

There total 2 articles about 2-Nitro-6-(trifluoromethyl)phenol 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: 47.0%

2-(trifluoromethyl)phenol (444-30-4) → 2-Nitro-6-(trifluoromethyl)phenol (1548-62-5)

Guidance literature:

With sodium nitrate; sulfuric acid; sodium nitrite; In dichloromethane;

Reference yield: 43.0%

→ 2-Nitro-6-(trifluoromethyl)phenol (1548-62-5)

Guidance literature:

Reference yield: 94.0%

2-Nitro-6-(trifluoromethyl)phenol (1548-62-5) + stannous chloride (7772-99-8) → 3-trifluoromethyl-2-hydroxyaniline (72534-45-3)

Guidance literature:

In ethanol;

upstream raw materials:

2-(trifluoromethyl)phenol

Downstream raw materials:

3-trifluoromethyl-2-hydroxyaniline

C₂₃H₂₂F₇NO₂

Refernces

• 1、 Betageri, Raj,Gilmore, Thomas,Kuzmich, Daniel,Kirrane, Thomas M.,Bentzien, J?rg,Wiedenmayer, Dieter,Bekkali, Younes,Regan, John,Berry, Angela,Latli, Bachir,Kukulka, Alison J.,Fadra, Tazmeen N.,Nelson, Richard M.,Goldrick, Susan,Zuvela-Jelaska, Ljiljana,Souza, Don,Pelletier, Josephine,Dinallo, Roger,Panzenbeck, Mark,Torcellini, Carol,Lee, Heewon,Pack, Edward,Harcken, Christian,Nabozny, Gerald,Thomson, David S.. "Non-steroidal dissociated glucocorticoid agonists: Indoles as A-ring mimetics and function-regulating pharmacophores". scheme or table. p. 6842 - 6851. Retrieved 2011/12/22.
• 2、 -. "Bicyclic modulators of androgen receptor function". . . Retrieved 2008/06/13.