4-(Ethylsulphonyl)-2-nitrophenol

Base Information

• Chemical Name: 4-(Ethylsulphonyl)-2-nitrophenol
• CAS No.: 84996-11-2
• Molecular Formula: C8H9NO5S
• Molecular Weight: 231.229
• Hs Code.: 2908999090
• European Community (EC) Number: 284-947-7
• UNII: MP2F7T9DFT
• DSSTox Substance ID: DTXSID40234044
• Nikkaji Number: J309.569J
• Wikidata: Q83115758
• Mol file: 84996-11-2.mol

Synonyms:84996-11-2;4-ethylsulfonyl-2-nitrophenol;4-(Ethylsulphonyl)-2-nitrophenol;4-(ETHYLSULFONYL)-2-NITROPHENOL;EINECS 284-947-7;4-(ethanesulfonyl)-2-nitrophenol;MP2F7T9DFT;UNII-MP2F7T9DFT;SCHEMBL532862;DTXSID40234044;SGMLLKMQYTWRJX-UHFFFAOYSA-N;Phenol, 4-(ethylsulfonyl)-2-nitro-;AKOS015838986;Phenol, 4-(ethylsulphonyl)-2-nitro-;BB 0260228;FT-0678141

Chemical Property of 4-(Ethylsulphonyl)-2-nitrophenol

Chemical Property:

• Vapor Pressure: 2.57E-07mmHg at 25°C
• Melting Point: 137-139oC
• Boiling Point: 410.3°Cat760mmHg
• Flash Point: 201.9°C
• PSA: 108.57000
• Density: 1.463g/cm³
• LogP: 2.69800
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 231.02014356
• Heavy Atom Count: 15
• Complexity: 328

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Ethylsulphonyl)-2-nitrophenol

There total 11 articles about 4-(Ethylsulphonyl)-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: 100.0%

4-hydroxy-phenyl-ethylsulfone (859537-79-4) → 4-(ethylsulfonyl)-2-nitro-phenol (84996-11-2)

Guidance literature:

With nitric acid; acetic acid; at 80 ℃; for 3h;

Reference yield: 97.0%

1-chloro-4-(ethylsulphonyl)-2-nitrobenzene (74159-80-1) → 4-(ethylsulfonyl)-2-nitro-phenol (84996-11-2)

Guidance literature:

With sodium hydroxide; at 95 ℃; for 3h; Temperature; Autoclave;

Reference yield: 92.0%

4-(ethylsulfonyl)-1-methoxy-2-nitrobenzene (51572-44-2) → 4-(ethylsulfonyl)-2-nitro-phenol (84996-11-2)

Guidance literature:

With formic acid; hydrogen bromide; at 90 ℃; for 30h; Temperature;

upstream raw materials:

4-(ethylthio)phenol

4-sulfanylphenol

4-hydroxy-phenyl-ethylsulfone

p-chlorophenyl ethyl sulfide

Downstream raw materials:

2-amino-4-(ethylsulfonyl)phenol

Refernces

• 1、 -. "A 2 - amino - (4 - ethyl sulfonyl) phenol synthesis method (by machine translation)". . . Retrieved 2017/05/10.
• 2、 -. "Nitroarylalkylsulfone derivatives as plant growth stimulants". . . Retrieved 2008/06/13.