IMIBENCONAZOLE

Base Information

• Chemical Name: IMIBENCONAZOLE
• CAS No.: 86598-92-7
• Deprecated CAS: 96923-02-3,1135441-10-9,1135441-10-9
• Molecular Formula: C17H13Cl3N4S
• Molecular Weight: 411.7359
• European Community (EC) Number: 617-888-6
• UNII: KQY333M0BE
• DSSTox Substance ID: DTXSID7058204
• Nikkaji Number: J632.145C
• Wikidata: Q18625913
• ChEMBL ID: CHEMBL3218922
• Mol file: 86598-92-7.mol

Synonyms:Imibenconazole solution;Imibenconazole [ISO];Imibenconazole;HF 6305;HF 8505;1H-1,2,4-Triazole-1-ethanamidothioic acid,N-(2,4-dichlorophenyl)-,(4-chlorophenyl)methyl ester;(4-chlorophenyl)methyl N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimidothioate;4-chlorobenzyl (EZ)-N-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)thioacetamidate;4-chlorobenzyl n-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl)thioacetamidate;(4-chlorophenyl)methyl (Ξ)-N-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanimidothioate;(4-chlorophenyl)methyl N-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanimidothioate;

Chemical Property of IMIBENCONAZOLE

Chemical Property:

• Vapor Pressure: 6.85E-13mmHg at 25°C
• Melting Point: 89.5-90°
• Boiling Point: 567.4°Cat760mmHg
• PKA: 1.81±0.10(Predicted)
• Flash Point: 296.9°C
• PSA: 68.37000
• Density: 1.42g/cm³
• LogP: 5.90190
• Storage Temp.: 0-6°C
• Water Solubility.: 1.7 mg l-1 (20 °C)
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 409.992651
• Heavy Atom Count: 25
• Complexity: 446

Purity/Quality:

99.9% ^*data from raw suppliers

Imibenconazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn
• Statements: 11-20/21/22-36
• Safety Statements: 16-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CSC(=NC2=C(C=C(C=C2)Cl)Cl)CN3C=NC=N3)Cl
• Uses: Imibenconazole is used to control scab, powdery mildew, Alternaria leaf spot, sooty blotch, fly speck and rust on apples, scab and rust on pears, scab and powdery mildew on fruits, and anthracnose and other diseases on roses and chrysanthemums. Imibenconazole can be used in biological study of effect-directed analysis of toxicants in sediment with combined passive dosing and in vivo toxicity testing.