4-Nitro-2-(trifluoromethyl)phenol

Base Information

• Chemical Name: 4-Nitro-2-(trifluoromethyl)phenol
• CAS No.: 1548-61-4
• Molecular Formula: C7H4F3NO3
• Molecular Weight: 207.109
• Hs Code.: 2908999090
• European Community (EC) Number: 830-928-9
• DSSTox Substance ID: DTXSID60165720
• Nikkaji Number: J337.762H
• Wikidata: Q72512149
• Mol file: 1548-61-4.mol

Synonyms:1548-61-4;4-Nitro-2-(trifluoromethyl)phenol;4-Nitro-2-(trifluoromethyl)benzenol;4-Nitro-2-trifluoromethylphenol;Phenol, 4-nitro(trifluoromethyl)-;Phenol, 4-nitro-2-(trifluoromethyl)-;2-trifluoromethyl-4-nitrophenol;trifluoromethyl-4-nitrophenol;SCHEMBL1549743;SCHEMBL11300676;4-nitro-2-trifluoromethyl phenol;4-nitro-2-trifluoromethyl-phenol;DTXSID60165720;a,a,a-Trifluoro-4-nitro-o-cresol;AMY22917;4-nitro-2-(trifluoromethyl)-phenol;MFCD11100972;AKOS005072729;CS-W004922;FD-0093;FT-0657181;EN300-52800;A809577;J-515865;Z759968160;4-nitro-2-(trifluoromethyl)phenol

Chemical Property of 4-Nitro-2-(trifluoromethyl)phenol

Chemical Property:

• Appearance/Colour: white like or light brown crystalline powder
• Vapor Pressure: 0.00822mmHg at 25°C
• Melting Point: 105-107 °C
• Refractive Index: 1.507
• Boiling Point: 259 °C at 760 mmHg
• Flash Point: 110.4 °C
• PSA: 66.05000
• Density: 1.554 g/cm³
• LogP: 2.84240
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• 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%,99%, ^*data from raw suppliers

4-Nitro-2-(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-])C(F)(F)F)O

Technology Process of 4-Nitro-2-(trifluoromethyl)phenol

There total 14 articles about 4-Nitro-2-(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: 98.0%

1-methoxy-4-nitro-2-(trifluoromethyl)benzene (654-76-2) → 4-nitro-2-(trifluoromethyl)phenol (1548-61-4)

Guidance literature:

With lithium chloride; In N,N-dimethyl-formamide; for 3h; Inert atmosphere; Reflux;

DOI:10.1039/b907907f

Reference yield: 96.0%

C14H7F3N4O7 (1426689-52-2) → 2,4-dinitrobenzonitrile (4110-33-2) + 4-nitro-2-(trifluoromethyl)phenol (1548-61-4)

Guidance literature:

With triethylamine; In water; acetonitrile; at 25 ℃; for 7h; Reagent/catalyst; Kinetics;

DOI:10.5012/bkcs.2013.34.4.1030

Reference yield: 92.0%

2-bromo-5-nitro-benzotrifluoride (367-67-9) → 4-nitro-2-(trifluoromethyl)phenol (1548-61-4)

Guidance literature:

2-bromo-5-nitro-benzotrifluoride; With copper(l) iodide; 1,10-Phenanthroline; potassium hydroxide; In water; dimethyl sulfoxide; at 20 - 100 ℃; Inert atmosphere;

With hydrogenchloride; In water; dimethyl sulfoxide; at 20 ℃; Inert atmosphere;

DOI:10.1002/anie.200903923

upstream raw materials:

3-trifluoromethylnitrobenzene

4-chloro-4'-nitro-2'-trifluoromethyldiphenyl sulphone

4,4'-dinitro-2,2'-bis(trifluoromethyl)diphenyl sulphone

1-methoxy-4-nitro-2-(trifluoromethyl)benzene

Downstream raw materials:

4-amino-2-(trifluoromethyl)phenol

2-Chlor-6-trifluormethyl-4-nitrophenol

4,4'-dithiobis-(2-trifluoromethylphenoxyacetic acid) diethyl ester

4,4'-dithiobis-(2-trifluoromethylphenoxyacetic acid)

Refernces

• 1、 Ferroni, Claudia,Pepe, Antonella,Kim, Yeong Sang,Lee, Sunmin,Guerrini, Andrea,Parenti, Marco Daniele,Tesei, Anna,Zamagni, Alice,Cortesi, Michela,Zaffaroni, Nadia,De Cesare, Michelandrea,Beretta, Giovanni Luca,Trepel, Jane B.,Malhotra, Sanjay V.,Varchi, Greta. "1,4-Substituted Triazoles as Nonsteroidal Anti-Androgens for Prostate Cancer Treatment". supporting information. p. 3082 - 3093. Retrieved 2017/04/21.
• 2、 Pyun, Sang Yong,Paik, Kyu Cheol,Han, Man So,Cho, Bong Rae. "Reactions of aryl 5-substituted-2-thiophenecarboxylates promoted by 4-Z-C6H4O-/4-Z-C6H4OH in 20 mol % DMSO(aq). Effect of nucleophile on acyl-transfer reaction". . p. 2810 - 2814. Retrieved 2016/02/05.