Dimetilan

Base Information

• Chemical Name: Dimetilan
• CAS No.: 644-64-4
• Molecular Formula: C10H16 N4 O3
• Molecular Weight: 240.262
• Hs Code.: 2933199011
• European Community (EC) Number: 211-420-0
• UN Number: 2757
• UNII: S53KQ82I35
• DSSTox Substance ID: DTXSID2041880
• Nikkaji Number: J62.073D
• Wikipedia: Dimetilan
• Wikidata: Q5277351
• NCI Thesaurus Code: C163650
• ChEMBL ID: CHEMBL3183014
• Mol file: 644-64-4.mol

Synonyms:dimetilan

Chemical Property of Dimetilan

Chemical Property:

• Appearance/Colour: Clear colorless to slightly yellow liquid
• Vapor Pressure: 2.58E-05mmHg at 25°C
• Melting Point: 68-71℃
• Refractive Index: 1.6200 (estimate)
• Boiling Point: 358.3°C at 760 mmHg
• PKA: -0.87±0.12(Predicted)
• Flash Point: 170.5°C
• PSA: 67.67000
• Density: 1.2g/cm³
• LogP: 0.78160
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 240.12224039
• Heavy Atom Count: 17
• Complexity: 306
• Transport DOT Label: Poison

Purity/Quality:

Dimetilan ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N
• Statements: 21-25-50/53
• Safety Statements: 36/37-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Carbamate Insecticides
• Canonical SMILES: CC1=CC(=NN1C(=O)N(C)C)OC(=O)N(C)C
• Uses: Insecticide. Dimetilan is a compound once used in insecticides.

Technology Process of Dimetilan

There total 1 articles about Dimetilan 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:

→ dimetilan (644-64-4)

Guidance literature:

Entspr.Pyrazolon, entspr.Carbamoylchlorid, COCl2;

Reference yield:

dimetilan (644-64-4) → carbon dioxide (124-38-9,18923-20-1) + 3-hydroxy-5-methyl-1H-pyrazole (4344-87-0) + dimethyl amine (124-40-3)

Guidance literature:

With citric acid; nickel(II) iodide; In acetate buffer; at 25 ℃; pH=4 - 8; Further Variations:; Catalysts; pH-values; Reagents; Kinetics;

DOI:10.1021/es0009673

Downstream raw materials:

carbon dioxide

3-hydroxy-5-methyl-1H-pyrazole

dimethyl amine

Refernces