Dicofol

Base Information

• Chemical Name: Dicofol
• CAS No.: 115-32-2
• Molecular Formula: C14H9Cl5O
• Molecular Weight: 370.49
• Hs Code.: 2906299010
• European Community (EC) Number: 204-082-0
• ICSC Number: 0752
• UN Number: 3082,2761
• UNII: W4WMM0WS91
• DSSTox Substance ID: DTXSID4020450
• Nikkaji Number: J2.467H
• Wikipedia: Dicofol
• Wikidata: Q418183
• Metabolomics Workbench ID: 55016
• ChEMBL ID: CHEMBL228511
• Mol file: 115-32-2.mol

Synonyms:Dicofol;Keltane;Kelthane

Chemical Property of Dicofol

Chemical Property:

• Appearance/Colour: white or grey powder, or colourless crystals
• Vapor Pressure: 4.64E-09mmHg at 25°C
• Melting Point: 78.5 °C
• Refractive Index: 1.626
• Boiling Point: 454.7 °C at 760 mmHg
• PKA: 10.70±0.29(Predicted)
• Flash Point: 228.8 °C
• PSA: 20.23000
• Density: 1.532 g/cm³
• LogP: 5.59950
• Storage Temp.: APPROX 4°C
• Water Solubility.: Slightly soluble.
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 369.906653
• Heavy Atom Count: 20
• Complexity: 292
• Transport DOT Label: Class 9

Purity/Quality:

≥98% ^*data from raw suppliers

Dicofol(>85%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, N, T, F
• Hazard Codes: Xn;N,N,Xn,T,F
• Statements: 21/22-38-43-50/53-39/23/24/25-23/24/25-11
• Safety Statements: 36/37-60-61-45-16-7

MSDS Files:

Useful:

• Chemical Classes: Pesticides -> Organochlorine Pesticides
• Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly when dispersed, especially if powdered.
• Effects of Short Term Exposure: The substance is irritating to the eyes and skin (technical grade). The substance may cause effects on the central nervous system, liver and kidneys.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis.
• Uses: Nonsystemic acaricide to control mites in citrus fruits, grapes, cotton, pome and stone fruit. Acaricide, organochlorine pesticide. Dicofol is a non-systemic acaricide/miticide currently registered in the US and Canada for use on a wide variety of crops.

Technology Process of Dicofol

There total 4 articles about Dicofol 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:

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

Guidance literature:

p,p'-DDT; In acetonitrile; at 20 ℃; Inert atmosphere; UV-irradiation;

With oxygen; In acetonitrile; chemoselective reaction;

DOI:10.1016/j.catcom.2015.06.016

Reference yield:

1,1,1,2-tetrachloro-2,2-bis-(4-chloro-phenyl)-ethane (3563-45-9) → Dicofol (115-32-2)

Guidance literature:

With formic acid; sulfuric acid;

Reference yield:

1-acetoxy-2,2,2-trichloro-1,1-bis-(4-chloro-phenyl)-ethane (3567-16-6) → Dicofol (115-32-2)

Guidance literature:

With sulfuric acid; acetic acid;

DOI:10.1021/jo01103a018

upstream raw materials:

1,1,1,2-tetrachloro-2,2-bis-(4-chloro-phenyl)-ethane

1-acetoxy-2,2,2-trichloro-1,1-bis-(4-chloro-phenyl)-ethane

p,p'-DDT

Downstream raw materials:

4-chloro-α-(4-chlorophenyl)-α-dichloromethylbenzenemethanol

methyl chlorobenzilate

4,4'-Dichlorobenzophenone

chlorobenzilate