Isotianil

Base Information

• Chemical Name: Isotianil
• CAS No.: 224049-04-1
• Deprecated CAS: 1135441-71-2
• Molecular Formula: C11H5Cl2N3OS
• Molecular Weight: 298.152
• European Community (EC) Number: 619-682-1
• UNII: 482Y0NQC01
• DSSTox Substance ID: DTXSID4058025
• Nikkaji Number: J2.510.822A
• Wikidata: Q19286298
• Mol file: 224049-04-1.mol

Synonyms:3,4-dichloro-2'-cyano-1,2-thiazole-5-carboxanilide;isotianil

Chemical Property of Isotianil

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 322.771oC at 760 mmHg
• PKA: 9.15±0.70(Predicted)
• Flash Point: 149.007oC
• PSA: 97.51000
• Density: 1.6g/cm3
• LogP: 3.95788
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 296.9530384
• Heavy Atom Count: 18
• Complexity: 373

Purity/Quality:

99.9% ^*data from raw suppliers

Isotianil PESTANAL?, analytical standard ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C#N)NC(=O)C2=C(C(=NS2)Cl)Cl

Technology Process of Isotianil

There total 4 articles about Isotianil 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: 98.8%

3,4-dichloro-isothiazole-5-carbonyl chloride (56914-82-0) + anthranilic acid nitrile (1885-29-6) → isotianil (224049-04-1)

Guidance literature:

In toluene; at 80 ℃; for 2h; Solvent; Temperature;

Reference yield: 98.7%

anthranilic acid amide (28144-70-9,88-68-6) + 3,4-dichloro-isothiazole-5-carbonyl chloride (56914-82-0) → isotianil (224049-04-1)

Guidance literature:

anthranilic acid amide; 3,4-dichloro-isothiazole-5-carbonyl chloride; With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

With trichlorophosphate; In N,N-dimethyl-formamide; at 0 ℃; for 2h;

With water; In N,N-dimethyl-formamide; at 0 ℃; for 0.25h; Product distribution / selectivity;

Reference yield: 96.0%

N-(2-carbamoylphenyl)-3,4-dichloro-1,2-thiazole-5-carboxamide (642474-94-0) → isotianil (224049-04-1)

Guidance literature:

N-(2-carbamoylphenyl)-3,4-dichloro-1,2-thiazole-5-carboxamide; With Vilsmeier reagent; In N,N-dimethyl-formamide; at 20 - 60 ℃; for 1h;

With water; In N,N-dimethyl-formamide; at 60 ℃; for 0.25h; Product distribution / selectivity;

upstream raw materials:

3,4-dichloro-isothiazole-5-carbonyl chloride

anthranilic acid nitrile

anthranilic acid amide

N-(2-carbamoylphenyl)-3,4-dichloro-1,2-thiazole-5-carboxamide