Clofentezine

Base Information

• Chemical Name: Clofentezine
• CAS No.: 74115-24-5
• Deprecated CAS: 88025-82-5
• Molecular Formula: C14H8Cl2N4
• Molecular Weight: 303.15
• Hs Code.: 2933990012
• European Community (EC) Number: 277-728-2
• UNII: JS4U0R0033
• DSSTox Substance ID: DTXSID9023881
• Nikkaji Number: J20.649K
• Wikidata: Q2979540
• Metabolomics Workbench ID: 56231
• ChEMBL ID: CHEMBL17888
• Mol file: 74115-24-5.mol

Synonyms:3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;bisclofentezin;clofentezine

Chemical Property of Clofentezine

Chemical Property:

• Appearance/Colour: red crystals
• Vapor Pressure: 8.4E-10mmHg at 25°C
• Melting Point: 182-185 °C
• Refractive Index: 1.634
• Boiling Point: 504.359 °C at 760 mmHg
• PKA: -1.68±0.31(Predicted)
• Flash Point: 290.403 °C
• PSA: 51.56000
• Density: 1.398 g/cm³
• LogP: 3.90740
• Storage Temp.: 0-6°C
• Water Solubility.: 2.522ug/L(temperature not stated)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 302.0126017
• Heavy Atom Count: 20
• Complexity: 280

Purity/Quality:

99% ^*data from raw suppliers

Clofentezine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)Cl
• Uses: Clofentezine is a mite growth regular and an tetrazine based acaricide. Clofentezine is used in agriculture for the protection of ornamentals, food and non-food crops in the field.

Technology Process of Clofentezine

There total 17 articles about Clofentezine 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: 54.0%

3,6-diphenyl-1,2,4,5-tetrazine (6830-78-0) → 3-(2-chlorophenyl)-6-phenyl-1,2,4,5-tetrazine + C14H8Cl2N4 + bisclofentezin (74115-24-5,88025-82-5)

Guidance literature:

With N-chloro-succinimide; acetic acid; bis(dibenzylideneacetone)-palladium⁽⁰⁾; at 110 ℃; for 0.75h; Microwave irradiation;

Reference yield: 52.0%

3,6-bis(2-chlorophenyl)-1,2-dihydro-1,2,4,5-tetrazine (74115-15-4) → bisclofentezin (74115-24-5,88025-82-5)

Guidance literature:

With acetic acid; sodium nitrite;

DOI:10.1016/j.bmcl.2003.12.056

Reference yield: 51.8%

3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine (74115-15-4) → bisclofentezin (74115-24-5,88025-82-5)

Guidance literature:

With acetic acid; sodium nitrite; In diethyl ether;

DOI:10.1016/j.bmcl.2006.04.066

upstream raw materials:

3,6-bis(2-chlorophenyl)-1,2-dihydro-1,2,4,5-tetrazine

3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine

2-Chlorobenzonitrile

3,6-diphenyl-1,2,4,5-tetrazine

Downstream raw materials:

1,4-bis(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazine

Refernces

• 1、 Mboyi, Clève D.,Testa, Christelle,Reeb, Sarah,Genc, Semra,Cattey, Hélène,Fleurat-Lessard, Paul,Roger, Julien,Hierso, Jean-Cyrille. "Building Diversity in ortho-Substituted s-Aryltetrazines by Tuning N-Directed Palladium C-H Halogenation: Unsymmetrical Polyhalogenated and Biphenyl s-Aryltetrazines". . p. 8493 - 8501. Retrieved 2017/12/08.
• 2、 -. "ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES". . . Retrieved 2010/08/18.