4-Chloro-1-(4-chlorophenoxy)-2-nitrobenzene

Base Information

• Chemical Name: 4-Chloro-1-(4-chlorophenoxy)-2-nitrobenzene
• CAS No.: 135-12-6
• Molecular Formula: C12H7Cl2NO3
• Molecular Weight: 284.098
• Hs Code.: 2909309090
• European Community (EC) Number: 205-176-4
• NSC Number: 12988
• UNII: 394Q7R913H
• DSSTox Substance ID: DTXSID2059647
• Nikkaji Number: J49.861K
• Wikidata: Q27256857
• Mol file: 135-12-6.mol

Synonyms:135-12-6;4-Chloro-1-(4-chlorophenoxy)-2-nitrobenzene;Benzene, 4-chloro-1-(4-chlorophenoxy)-2-nitro-;4,4'-DICHLORO-2-NITRODIPHENYL ETHER;4-Chloro-2-nitrophenyl p-chlorophenyl ether;Ether, 4-chloro-2-nitrophenyl p-chlorophenyl;HSDB 5478;4-Chlorophenyl 4-chloro-2-nitrophenyl ether;4,4'-Dichlor-2-nitrodifenylether;EINECS 205-176-4;NSC 12988;Ether, 4-chlorophenyl (4'-chloro-2'-nitro)phenyl;BRN 3361061;C12H7Cl2NO3;4,4'-Dichlor-2-nitrodifenylether [Czech];UNII-394Q7R913H;NSC-12988;394Q7R913H;4-06-00-01348 (Beilstein Handbook Reference);NSC12988;WLN: WNR CG FOR DG;SCHEMBL5863266;DTXSID2059647;AKOS015833748;4,4/'-Dichloro-2-nitrodiphenyl ether;LS-67796;4-chloro-2-nitrophenyl 4-chlorophenyl ether;FT-0645192;A26486;Ether, 4-chlorophenyl(4'-chloro-2'-nitro)phenyl;4,4'-DICHLORO-2-NITRODIPHENYL ETHER [HSDB];W-109481;Q27256857

Chemical Property of 4-Chloro-1-(4-chlorophenoxy)-2-nitrobenzene

Chemical Property:

• Vapor Pressure: 3.88E-05mmHg at 25°C
• Refractive Index: 1.623
• Boiling Point: 363.01 °C at 760 mmHg
• Flash Point: 173.342 °C
• PSA: 55.05000
• Density: 1.451 g/cm³
• LogP: 5.21710
• Storage Temp.: 2-8°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 282.9802985
• Heavy Atom Count: 18
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

4-CHLOROPHENYL 4-CHLORO-2-NITROPHENYL ETHER Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: C1=CC(=CC=C1OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])Cl

Technology Process of 4-Chloro-1-(4-chlorophenoxy)-2-nitrobenzene

There total 8 articles about 4-Chloro-1-(4-chlorophenoxy)-2-nitrobenzene 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: 99.53%

4-chloro-phenol (106-48-9,82344-39-6) + 2,5-dichloronitrobenzene (89-61-2) → 4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene (135-12-6)

Guidance literature:

With potassium hydroxide; at 135 - 140 ℃; for 3.5h; Reagent/catalyst; Temperature; Large scale;

Reference yield:

2,5-dichloronitrobenzene (89-61-2) → 4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene (135-12-6)

Guidance literature:

With water; at 150 ℃;

Reference yield:

4-chlorobenzonitrile (100-00-5) + sodium 2-chlorophenoxide (35535-81-0) + 2,5-dichloronitrobenzene (89-61-2) → 4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene (135-12-6)

Guidance literature:

With sodium phenoxide;

upstream raw materials:

4,4'-dichlorodiphenyl ether

potassium 4-chlorophenoxide

2,5-dichloronitrobenzene

4-chloro-phenol

Refernces

• 1、 Camelio, Andrew M.,Liang, Yong,Eliasen, Anders M.,Johnson, Trevor C.,Yuan, Changxia,Schuppe, Alex W.,Houk,Siegel, Dionicio. "Computational and Experimental Studies of Phthaloyl Peroxide-Mediated Hydroxylation of Arenes Yield a More Reactive Derivative, 4,5-Dichlorophthaloyl Peroxide". . p. 8084 - 8095. Retrieved 2015/09/01.
• 2、 Nakao, Akira,Suzuki, Hiroko,Ueno, Hiroaki,Iwasaki, Hiroshi,Setsuta, Tomofumi. "Discovery of S-adenosyl-l-homocysteine hydrolase inhibitors based on non-adenosine analogs". . p. 4336 - 4340. Retrieved 2014/10/15.