Clofenotane

Base Information

• Chemical Name: Clofenotane
• CAS No.: 50-29-3
• Deprecated CAS: 1081843-15-3
• Molecular Formula: C14H9 Cl5
• Molecular Weight: 354.49
• Hs Code.: 2903920000
• European Community (EC) Number: 200-024-3
• ICSC Number: 0034
• NSC Number: 8939
• UN Number: 2761
• UNII: CIW5S16655
• DSSTox Substance ID: DTXSID4020375
• Nikkaji Number: J2.295K
• Wikipedia: DDT
• Wikidata: Q163648
• NCI Thesaurus Code: C44364
• Metabolomics Workbench ID: 45277
• ChEMBL ID: CHEMBL416898
• Mol file: 50-29-3.mol

Synonyms:1,1,1-trichloro-2,2-bis(p-chlorophenyl)ethane;4,4' DDT;4,4' Dichlorodiphenyltrichloroethane;4,4'-DDT;4,4'-Dichlorodiphenyltrichloroethane;Benzochloryl;chlorophenothane;DDT;p',p'-DDT;TbisC ethane;TbisC-ethane

Chemical Property of Clofenotane

Chemical Property:

• Appearance/Colour: colourless to white crystalline powder
• Vapor Pressure: 9.42E-07mmHg at 25°C
• Melting Point: 108.5
• Refractive Index: 1.755
• Boiling Point: 260
• Flash Point: 203.9°C
• PSA: 0.00000
• Density: 1.451g/cm³
• LogP: 6.49550
• Storage Temp.: APPROX 4°C
• Water Solubility.: Slightly soluble. 0.00000017 g/100 mL
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 353.911739
• Heavy Atom Count: 19
• Complexity: 250
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

DDT ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Toxic by ingestion, inhalation, and skin absorption, especially in solution. Lethal dosage for humans estimated to be 500 mg/kg of body weight (solid material). Since DDT is not biodegradable and is ecologically damaging, its agricultural use in the U.S. was prohibited in 1973 (though its manufacturing for export is permitted). A confirmed human carcinogen. DDT can be used for a few specialized purposes, e.g., to combat the tussock moth. TLV: 1 mg/m³. FDA tolerance: 5 ppm in foods.
• Hazard Codes: T,N,Xi,F,Xn
• Statements: 25-40-48/25-50/53-36/37/38-11-39/23/24/25-23/24/25-52/53-24-67-65-38
• Safety Statements: 22-36/37-45-60-61-36-33-26-16-7-62

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Organochlorine Pesticides
• Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly , especially if powdered.
• Effects of Short Term Exposure: May cause mechanical irritation. The substance may cause effects on the central nervous system. This may result in convulsions and respiratory depression. Exposure at high levels could cause death. Medical observation is indicated.
• Effects of Long Term Exposure: The substance may have effects on the central nervous system and liver. This substance is possibly carcinogenic to humans. Animal tests show that this substance possibly causes toxicity to human reproduction or development.
• Description: DDT is a polychlorinated persistent chemical that exists as a solid under normal conditions.Even though DDT seemed to be a cheap and effective pesticide, enough was known in its early development to raise concerns. DDT is a persistent chemical that lasts a long time in the environment. DDT is fat-soluble and not readily metabolized by higher organisms. Th is meant that DDT accumulated in the fat tissues of higher organisms.
• Physical properties: Whites crystals or waxy solid, with a faint, fragrant, aromatic-like odor. Tasteless. Odor threshold concentration is 200 ppb (quoted, Keith and Walters, 1992) and in water, 350 μg/kg (Sigworth, 1964).
• Uses: DDT belongs to a group of chemical insecticides know as organochlorides.these containhydrogen, carbon, and chlorine and kill by interfering with nerve transmission, making themneurotoxins. Organochlorides were the dominant type of chemical insecticide used from 1940to 1970. Some common organochlorides besides DDT are chlordane, heptachlor, aldrin, anddieldrin. Because of their problems and subsequent ban in many regions, numerous otherclasses of insecticides have been synthesized to replace organochlorides. Use as an insecticide is now prohibited. The primary use of DDT is as a vector control for eradication of malaria-bearing mosquitoes. Less persistent insecticides have replaced DDT for control of insects on crops and in forests. 4,4'-Dichlorodiphenyltrichloroethane is a synthetic organochlorine insecticide. 4,4'-Dichlorodiphenyltrichloroethane functions by opening sodium ion channels in the insects’neurons, causing them to f ire spontaneously which in turn leads to death. 4,4'-Dichlorodiphenyltrichloroethane is banned for agricultural use in North America, it is still commonly used in some countries and particularly as a means of malaria control.

Technology Process of Clofenotane

There total 22 articles about Clofenotane 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: 93.3%

p,p'-dicofol + decane (124-18-5) + Dicofol (115-32-2) + dimethyl sulfoxide (67-68-5,8070-53-9) → p,p'-DDT (50-29-3,29411-63-0)

Guidance literature:

In water; chlorobenzene;

Reference yield: 89.0%

p,p'-dicofol + Dicofol (115-32-2) + dimethyl sulfoxide (67-68-5,8070-53-9) + chlorobenzene (108-90-7) → p,p'-DDT (50-29-3,29411-63-0)

Guidance literature:

In 1-chloro-2-hexylbenzene; hexane; water;

Reference yield: 81.5%

p,p'-dicofol + Dicofol (115-32-2) → p,p'-DDT (50-29-3,29411-63-0)

Guidance literature:

upstream raw materials:

chloral

chlorobenzene

chloral hydrate

2,2,2-trichloro-1-(4-chloro-phenyl)-ethanol

Downstream raw materials:

1,1-bis(4-chlorophenyl)-2,2-dichloroethylene

(E)-1,2-di(4-chlorophenyl)ethene

1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane

(Z)-1,1,4,4-tetrakis(4-chlorophenyl)-2,3-dichloro-2-butene

Refernces

• 1、 Ram, Ram N.,Manoj. "1,2-H shift in copper-chlorocarbenoid intermediate during CuCl/bpy-promoted stereoselective dechlorination of 2,2,2-trichloroethyl alkyl ethers to (Z)-1-alkoxy-2-chloroethenes". supporting information; experimental part. p. 2243 - 2246. Retrieved 2009/05/11.
• 2、 Abad, Antonio,Manclus, Juan J.,Mojarrad, Fatemeh,Mercader, Josep V.,Miranda, Miguel A.,Primo, Jaime,Guardiola, Vicente,Montoya, Angel. "Hapten Synthesis and Production of Monoclonal Antibodies to DDT and Related Compounds". . p. 3694 - 3702. Retrieved 2007/10/03.