Fenbuconazole

Base Information

• Chemical Name: Fenbuconazole
• CAS No.: 114369-43-6
• Deprecated CAS: 119611-00-6,205862-65-3
• Molecular Formula: C19H17 Cl N4
• Molecular Weight: 336.824
• European Community (EC) Number: 406-140-2,601-308-3
• UNII: P9P3C2AL0Z
• DSSTox Substance ID: DTXSID8032548
• Nikkaji Number: J583.573I
• Wikidata: Q3068332
• ChEMBL ID: CHEMBL1879687
• Mol file: 114369-43-6.mol

Synonyms:(RS)-4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyrontrile;alpha(2-(4-chlorophenyl)ethyl)-alpha-phenyl-1H-1,2,4-triazole-1-propanentrile;fenbuconazole

Chemical Property of Fenbuconazole

Chemical Property:

• Vapor Pressure: 5.43E-12mmHg at 25°C
• Melting Point: 125.0℃
• Refractive Index: 1.6110 (estimate)
• Boiling Point: 546.3°Cat760mmHg
• PKA: 2.34±0.10(Predicted)
• Flash Point: 284.2°C
• PSA: 54.50000
• Density: 1.18g/cm³
• LogP: 4.02588
• Storage Temp.: 0-6°C
• Water Solubility.: 0.2 mg l-1 (25 °C)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 336.1141743
• Heavy Atom Count: 24
• Complexity: 434

Purity/Quality:

99.9% ^*data from raw suppliers

Fenbuconazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N
• Uses: Fenbuconazole is a conazole based fungicide used as a spray for the control of leaf spot, yellow and brown rust, powdery mildew and net blotch on wheat and barley and apple scab, pear scab and apple p owdery mildew on apples and pears. Agricultural fungicide. Fenbuconazole is used for control of Septoria, Puccinia rusts, bunt, smut and Rhyncosporium secalis on cereals; powdery mildew and scab on pome fruit; brown rot and powdery mildew on stone fruit; powdery mildew, black rot and grey mould on vines, rust on beans and bean leaf spot on sugar beet. It is also used for control of a wide range of diseases on field crops, rice, bananas, tree nuts, vegetables and ornamentals. It can also be used in foliar, post-harvest and seed treatments.

Technology Process of Fenbuconazole

There total 1 articles about Fenbuconazole 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:

→ fenbuconazole (114369-43-6,119611-00-6)

Guidance literature:

Reference yield:

hydrogen sulfide (7783-06-4) + fenbuconazole (114369-43-6,119611-00-6) → 4-(4-chloro-phenyl)-2-cyano-2-phenyl-1-(5-mercapto-1.2,4-triazol-1-yl)-butane

Guidance literature:

With 1-methyl-pyrrolidin-2-one; In ethyl acetate;

Reference yield:

fenbuconazole (114369-43-6,119611-00-6) → 4-(4-chlorophenyl)-2-phenyl-2-[(1,2,4-triazol-1-yl)-methyl]butyramide

Guidance literature:

With sodium hydroxide; In water; dimethyl sulfoxide; ethyl acetate;

Refernces

• 1、 -. "Fungicidal mixtures". . . Retrieved 2008/06/13.
• 2、 -. "Use of certain triazoles to protect materials from fungal attack, articles and compositions". . . Retrieved 2008/06/13.