4-Ethyl-2-nitrophenol

Base Information

• Chemical Name: 4-Ethyl-2-nitrophenol
• CAS No.: 56520-98-0
• Molecular Formula: C8H9 N O3
• Molecular Weight: 167.164
• Hs Code.: 2908999090
• European Community (EC) Number: 260-239-3
• UNII: H11LD71YUH
• DSSTox Substance ID: DTXSID60205074
• Nikkaji Number: J296.702B
• Wikidata: Q83078557
• Mol file: 56520-98-0.mol

Synonyms:4-Ethyl-2-nitrophenol;56520-98-0;Phenol, 4-ethyl-2-nitro-;EINECS 260-239-3;H11LD71YUH;2-nitro-4-ethylphenol;UNII-H11LD71YUH;SCHEMBL1025776;DTXSID60205074;AMY28532;MFCD16742721;AKOS011654726;AS-33380;CS-0168195;FT-0706853;EN300-78784;J-515284;Z979482328

Chemical Property of 4-Ethyl-2-nitrophenol

Chemical Property:

• Vapor Pressure: 0.00509mmHg at 25°C
• Boiling Point: 267°Cat760mmHg
• Flash Point: 116.8°C
• PSA: 66.05000
• Density: 1.261g/cm³
• LogP: 2.38600
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

98%Min ^*data from raw suppliers

4-Ethyl-2-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(C=C1)O)[N+](=O)[O-]

Technology Process of 4-Ethyl-2-nitrophenol

There total 2 articles about 4-Ethyl-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: 95.0%

4-Ethylphenol (123-07-9) → 4-ethyl-2-nitrophenol (56520-98-0)

Guidance literature:

With iodine; silver nitrate; chloro-diphenylphosphine; In dichloromethane; at 20 ℃; for 0.0833333h;

DOI:10.1016/j.tetlet.2011.07.097

Reference yield: 78.0%

→ 4-ethyl-2-nitrophenol (56520-98-0)

Guidance literature:

With chloro-trimethyl-silane; copper(ll) sulfate pentahydrate; guanidine nitrate; In acetonitrile; at 20 ℃;

Reference yield: 90.0%

4-ethyl-2-nitrophenol (56520-98-0) → 2-amino-4-ethylphenol (94109-11-2)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate; palladium on activated charcoal; at 20 - 30 ℃; for 1.5h;

DOI:10.1002/jhet.5570300626

upstream raw materials:

4-Ethylphenol

Downstream raw materials:

4-ethyl-2-nitro-anisole

2-amino-4-ethylphenol

2-(4-Ethyl-2-nitro-phenoxy)-2-methyl-propionaldehyde

2-Chloro-5-ethyl-benzooxazole

Refernces

• 1、 Juárez-Ornelas, Kevin A.,Jiménez-Halla, J. Oscar C.,Kato, Terumasa,Solorio-Alvarado, César R.,Maruoka, Keiji. "Iodine(III)-Catalyzed Electrophilic Nitration of Phenols via Non-Br?nsted Acidic NO2+ Generation". supporting information. p. 1315 - 1319. Retrieved 2019/03/07.
• 2、 W?sińska, Ma?gorzata,Korczewska, Anna,Giurg, Miros?aw,Skarzewski, Jacek. "Improved Protocol for Mononitration of Phenols with Bismuth(III) and Iron(III) Nitrates". supporting information. p. 143 - 150. Retrieved 2015/10/20.