Penconazole CAS 66246-88-6

Introduction：Basic information about Penconazole CAS 66246-88-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Penconazole Basic information

• Product Name: Penconazole
• Synonyms: 1-[2-(2,4-Dichlorophenyl)-n-pentyl]-1H-1,2,4-triazole;1-[2-(2,4-DICHLOROPHENYL)PENTYL]-1,2,4-TRIAZOLE;1-[2-(2,4-DICHLOROPHENYL)PENTYL]-1H-1,2,4-TRIAZOLE;PENCONAZOL;PENCONAZOLE;4-triazole,1-(2-(2,4-dichlorophenyl)pentyl)-1h-2;cga71818;onmex
• CAS: 66246-88-6
• MF: C13H15Cl2N3
• MW: 284.18
• EINECS: 266-275-6
• Product Categories: Alpha sort;ConazolesPesticides&Metabolites;Fungicides;N-PAlphabetic;P;PA - PEN;FUNGICIDE;Pesticides
• Mol File: 66246-88-6.mol

Penconazole Chemical Properties

• Melting point: 58.5 °C
• Boiling point: 436.06°C (rough estimate)
• density: 1.2556 (rough estimate)
• vapor pressure: 3.7 x l0^-4 Pa (25 °C)
• refractive index: 1.6300 (estimate)
• Fp: 100 °C
• storage temp.: 0-6°C
• solubility: DMSO: 100 mg/mL (351.89 mM)
• pka: 2.80±0.10(Predicted)
• form: Solid
• Water Solubility: 73 mg l^-1 (25 °C)
• color: White
• BRN: 541488
• Major Application: agriculture environmental
• InChI: 1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3
• InChIKey: WKBPZYKAUNRMKP-UHFFFAOYSA-N
• SMILES: CCCC(Cn1cncn1)c2ccc(Cl)cc2Cl
• LogP: 3.660 (est)
• CAS DataBase Reference: 66246-88-6(CAS DataBase Reference)
• EPA Substance Registry System: Penconazole (66246-88-6)

Safety Information

• Safety Statements: 22-24/25
• RIDADR: UN 3077 9 / PGIII
• WGK Germany: 2
• RTECS: XZ4615000
• HS Code: 29339900
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 Repr. 2
• Toxicity: LD50 skn-rat: >3 g/kg DOVEAA 38,195,84

Penconazole Usage And Synthesis

Chemical Properties

Pentoxystrobin pure product is white powdery solid, melting point 60.3~61℃. Boiling point:>360°C, 99.2°C (1.9 Pa). Vapor pressure:0.17mPa(20℃),0.37mPa(25℃). Relative density 1.3. partition coefficient Kow lgP= 3.72( pH 5.7,20°C). Henry's constant 6.6×10-4Pa-m3/mol (calculated). Solubility in water 73 mg/L (25°C). Solubility in other solvents (25°C, g/L): ethanol 730, acetone 770, n-octanol 400, toluene 610, n-hexane 24. pH 1~13 hydrolytically stable; stable when heated to 350°C.

Uses

Penconazole is an conazole based fungicide that works by inhibiting cell membrane ergosterol biosynthesis, thus stopping the development of fungi.

Uses

Penconazole is used for the control of powdery mildew,pome fruit scab and other pathogenic Ascomycetes, Basidiomycetes andDeuteromycetes on vines, cucurbits, pome fruit, stone fruit, ornamentals,hops, tobacco and vegetables.

Definition

ChEBI: 1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole is a member of the classof triazoles that is 1,2,4-triazole substituted at position 1 by a 2-(2,4-dichlorophenyl)pentyl group. It is a dichlorobenzene and a member of triazoles.

Agricultural Uses

Fungicide: Penconazole is a systemic fungicide used to controlpowdery mildew. It is used on apples and grapes andother fruits, hops, tobacco, ornamentals and on vegetables.Not currently registered in the U.S. Reported to be used inmost European countries. Currently, there are more than30 global suppliers.

Trade name

AWARD®; CGA-71818®; ONMEX®;TOPAS®; TOPAS-C®; TOPAS-MZ®; TOPAZ®;TOPAZE®; TOPAZE-C®; TOPENCO 100EC®

Safety Profile

Moderately toxic by ingestion and skin contact. When heated to decomposition it emits toxic vapors of NOx and Clí.

Metabolic pathway

Penconazole is metabolised in plants by hydroxylation of the propyl sidechain and conjugation or metabolism to triazolylalanine and triazolylaceticacid. It is quite persistent in soils but degradation by sunlightrequires only a few days. It is eliminated rapidly from mammals.

Degradation

Penconazole (1) is stable to hydrolysis at pH 1-13 and at temperatures upto 350 °C. It is degraded in sunlight with a DT₅₀ of 4 days in natural sunlight.Its photochemical reactions have been studied. On irradiation withlight of wavelengths greater than 280 nm (high-pressure mercury lampwith filter), the major reaction was the formation of a cyclised product (2)(Scheme 1). Irradiation under the same conditions in isopropanol gavemainly 2 and 3 (a dechlorinated product). After 8 hours, yields were 29.8%of 2 and 12.3% of 3 respectively. The product 3 alone photodegradedonly slowly but 2 was completely photolysed within 3 hours to furtherproducts, indicating its role as an intermediate in the photolytic pathways(Schwack and Hartmann, 1992, 1994). In the presence of isopropanol,photodehalogenation of 3 to 4 competed with substitution of asolvent molecule to give a low yield (