Chlomethoxyfen

Base Information

• Chemical Name: Chlomethoxyfen
• CAS No.: 32861-85-1
• Deprecated CAS: 56257-73-9
• Molecular Formula: C13H9 Cl2 N O4
• Molecular Weight: 314.125
• Hs Code.: 2909309013
• European Community (EC) Number: 251-266-1
• UNII: VO5437P1A2
• DSSTox Substance ID: DTXSID6058055
• Nikkaji Number: J3.806G
• Wikidata: Q15726992
• ChEMBL ID: CHEMBL2268939
• Mol file: 32861-85-1.mol

Synonyms:2,4-dichloro-1-(3-methoxy-4-nitrophenoxy)benzene;2,4-dichlorophenyl 3-methoxy-4-nitrophenyl ether;chlomethoxyfen;chlomethoxynil;chlormethoxynil

Chemical Property of Chlomethoxyfen

Chemical Property:

• Vapor Pressure: 2.35E-06mmHg at 25°C
• Melting Point: 113.5°C
• Refractive Index: 1.6200 (estimate)
• Boiling Point: 403.6°Cat760mmHg
• Flash Point: 197.9°C
• PSA: 64.28000
• Density: 1.429g/cm³
• LogP: 5.22570
• Water Solubility.: 0.3mg/L(15 oC)
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 312.9908632
• Heavy Atom Count: 20
• Complexity: 339

Purity/Quality:

98%Min ^*data from raw suppliers

CHLOMETHOXYNIL 99.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Low toxicity by ingestion and skin contact.
• Hazard Codes: Low toxicity by ingestion and skin contact.

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Technology Process of Chlomethoxyfen

There total 2 articles about Chlomethoxyfen 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: 60.0%

1-chloro-3-methoxy-4-nitrobenzene (6627-53-8) + 2,4-dichlorophenol (120-83-2,40477-79-0) → chlomethoxynil (32861-85-1)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 150 ℃; for 5h;

DOI:10.1515/znb-1980-0721

Reference yield:

→ chlomethoxynil (32861-85-1)

Guidance literature:

1. 2,4-Dichlornitrobenzol, 2,4-Dichlorphenol, 2. Methanolyse;

DOI:10.1080/00021369.1976.10862123

Reference yield: 51.0%

chlomethoxynil (32861-85-1) → 2,4-Dichlor-3'-hydroxy-4'-nitrodiphenylether (59683-59-9)

Guidance literature:

With hydrogen bromide; In acetic acid; for 12h; Heating;

DOI:10.1515/znb-1980-0721

upstream raw materials:

1-chloro-3-methoxy-4-nitrobenzene

2,4-dichlorophenol

Downstream raw materials:

2,4-Dichlor-3'-hydroxy-4'-nitrodiphenylether

2-<5-(2',4'-Dichlorphenoxy)-2-nitrophenoxy>-propionsaeurechlorid

2-<5-(2',4'-Dichlorphenoxy)-2-nitrophenoxy>-propionsaeure

2-<5-(2',4'-Dichlorphenoxy)-2-nitrophenoxy>-propionsaeureethylester

Refernces

• 1、 Schoenowsky,Bieringer. "Nitrodiphenylethers, their preparation and herbicidal activity". . p. 902 - 908. Retrieved 2007/10/02.
• 2、 Niki,Kuwatsuka,Yokomichi. "Absorption, translocation and metabolism of chlomethoxynil (X 52) in plants". . p. 683 - 690. Retrieved 2007/10/12.