Methoxychlor

Base Information

• Chemical Name: Methoxychlor
• CAS No.: 72-43-5
• Molecular Formula: C16H15 Cl3 O2
• Molecular Weight: 345.653
• Hs Code.: 2909309011
• European Community (EC) Number: 200-779-9
• ICSC Number: 1306
• NSC Number: 8945
• UN Number: 3077,2761
• UNII: RIA79UD69L
• DSSTox Substance ID: DTXSID9020827
• Nikkaji Number: J2.377I
• Wikipedia: Methoxychlor
• Wikidata: Q411958
• Metabolomics Workbench ID: 53288
• ChEMBL ID: CHEMBL362919
• Mol file: 72-43-5.mol

Synonyms:Dianisyl Trichloroethane;DMDT;Methoxychlor;Metox;Trichloroethane, Dianisyl

Chemical Property of Methoxychlor

Chemical Property:

• Appearance/Colour: COLOURLESS TO LIGHT YELLOW CRYSTALS , WITH CHARACTERISTIC ODOUR.
• Vapor Pressure: 2.1E-07mmHg at 25°C
• Melting Point: 86-88 °C(lit.)
• Boiling Point: greater than or equal to 100 °C.
• Flash Point: less than 60 degrees C
• PSA: 18.46000
• Density: 1.4 g/cm3
• LogP: 5.20590
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 344.013763
• Heavy Atom Count: 21
• Complexity: 279
• Transport DOT Label: Class 9

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s): Toxic material. TLV: TWA 10 mg/m³; not classifiable as a human carcinogen.
• Hazard Codes: Toxic material. TLV: TWA 10 mg/m3; not classifiable as a human carcinogen.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Organochlorine Pesticides
• Canonical SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly on spraying or when dispersed, especially if powdered.
• Effects of Long Term Exposure: Animal tests show that this substance possibly causes toxic effects upon human reproduction.

Technology Process of Methoxychlor

There total 14 articles about Methoxychlor 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: 57.0%

p,p'-DDT (50-29-3,29411-63-0) + diethylamine (109-89-7) → Methoxychlor (72-43-5,105367-23-5) + N,N-diethyl 2,2-bis(4-chlorophenyl)acetamide

Guidance literature:

With tetrabutylammonium perchlorate; oxygen; C₅₄H₇₅CoN₃O₁₄⁽¹⁺⁾*ClO₄^(1-); In acetonitrile; at 30 ℃; Reagent/catalyst; Electrochemical reaction;

DOI:10.1246/bcsj.20210316

Reference yield: 36.0%

p,p'-DDT (50-29-3,29411-63-0) + diethylamine (109-89-7) → 4,4'-dichlorodiphenylmethane (101-76-8) + 1,1-bis(4-chlorophenyl)-2,2-dichloroethylene (72-55-9) + Methoxychlor (72-43-5,105367-23-5)

Guidance literature:

With tetrabutylammonium perchlorate; C₅₄H₇₅CoN₃O₁₄⁽¹⁺⁾*ClO₄^(1-); In acetonitrile; at 30 ℃; Reagent/catalyst; Electrochemical reaction;

DOI:10.1246/bcsj.20210316

Reference yield:

chloral (75-87-6) + methoxybenzene (100-66-3) → Methoxychlor (72-43-5,105367-23-5)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ie50473a032

upstream raw materials:

chloral

methoxybenzene

chloral hydrate

2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane

Downstream raw materials:

1,2-bis(4-methoxyphenyl)ethene

1,1-dichloro-2,2-bis(p-methoxyphenyl)ethane

1,1,4,4-tetrakis(4-methoxyphenyl)-2,3-dichlorobut-2-ene

1,1,4,4-tetrakis(4-methoxyphenyl)-2,2,3,3-tetrachlorobutane

Refernces

• 1、 -. "NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND". . . Retrieved 2017/08/26.
• 2、 Bai, Guoyi,Dou, Haiyang,Qiu, Mande,Fan, Xinxin,He, Fei,Niu, Libo,Ma, Zheng. "Friedel-crafts hydroxyalkylation of anisole over oxalic acid modified Hβ zeolite". experimental part. p. 187 - 192. Retrieved 2011/01/04.