Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Penconazole |
EINECS | 266-275-6 |
CAS No. | 66246-88-6 | Density | 1.27 g/cm3 |
PSA | 30.71000 | LogP | 4.16880 |
Solubility | 73 mg l-1 (25 °C) | Melting Point |
57.6-60.3 °C |
Formula | C13H15Cl2N3 | Boiling Point | 415.3 °C at 760 mmHg |
Molecular Weight | 284.188 | Flash Point | 204.9 °C |
Transport Information | N/A | Appearance | gray solid |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Topas;1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole;1H-1,2,4-triazole, 1-[2-(2,4-dichlorophenyl)pentyl]-;1-[2-(2,4-Dichlorophényl)pentyl]-1H-1,2,4-triazole; |
Article Data | 17 |
penconazole
Conditions | Yield |
---|---|
rhodium contaminated with carbon; platinumoxide; rhodiumoxide In tetrahydrofuran at 20℃; under 750.06 Torr; for 5.5h; | 71.4% |
penconazole
Conditions | Yield |
---|---|
In formamide |
penconazole
2-[2-(2,4-dichlorophenyl)-pentyl]-2,4-dihydro-[1,2,4]triazole-3-thione
Conditions | Yield |
---|---|
Stage #1: penconazole With isopropylmagnesium chloride In tetrahydrofuran at 40℃; for 1.5h; Stage #2: With sulfur In tetrahydrofuran at 0℃; for 1h; Stage #3: With hydrogenchloride; water In tetrahydrofuran | 60% |
Conditions | Yield |
---|---|
With oxygen; tetramethylammonium tetrafluoroborate; C5H13N2O(1+)*BF4(1-); sodium hydrogencarbonate In water; acetonitrile Reagent/catalyst; Electrochemical reaction; | A 19% B 7% |
hydrogen sulfide
penconazole
Conditions | Yield |
---|---|
With 1-methyl-pyrrolidin-2-one | |
With 1-methyl-pyrrolidin-2-one | |
With 1-methyl-pyrrolidin-2-one | |
With 1-methyl-pyrrolidin-2-one |
Conditions | Yield |
---|---|
With chiralpak IC column In hexane; isopropyl alcohol at 20℃; Thermodynamic data; Solvent; Temperature; Resolution of racemate; enantioselective reaction; |
The Penconazole, with the CAS registry number 66246-88-6 and EINECS registry number 266-275-6, has the systematic name of 1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole. And the molecular formula of this chemical is C13H15Cl2N3. It is a kind of gray solid, and should be stored at 0-6°C. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes. In addition, it is used in the control of powdery mildew, verturia noshicola and some other pathogen.
The physical properties of Penconazole are as following: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.66; (4)ACD/LogD (pH 7.4): 3.66; (5)ACD/BCF (pH 5.5): 357.52; (6)ACD/BCF (pH 7.4): 358.99; (7)ACD/KOC (pH 5.5): 2337.49; (8)ACD/KOC (pH 7.4): 2347.05; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 30.71 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 76.43 cm3; (15)Molar Volume: 222.8 cm3; (16)Polarizability: 30.3×10-24cm3; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 204.9 °C; (20)Enthalpy of Vaporization: 66.83 kJ/mol; (21)Boiling Point: 415.3 °C at 760 mmHg; (22)Vapour Pressure: 4.18E-07 mmHg at 25°C.
Preparation of Penconazole: This chemical can be prepared by 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-dichlorophenyl)-1-penten. The reaction will need catalysts rhodiumoxide, platinumoxide and rhodium/carbon, and the solvent tetrahydrofuran. The reaction time is 5.5 hours with temperature of 20°C and pressure of 750.06 Pa, and the yield is about 71.4%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(c(Cl)c1)C(CCC)Cn2ncnc2
(2)InChI: InChI=1/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
(3)InChIKey: WKBPZYKAUNRMKP-UHFFFAOYAF
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 2444mg/kg (2444mg/kg) | Defense des Vegetaux. Vol. 38, Pg. 195, 1984. | |
rat | LD50 | oral | 2125mg/kg (2125mg/kg) | Pesticide Manual. Vol. 9, Pg. 554, 1991. | |
rat | LD50 | skin | > 3gm/kg (3000mg/kg) | Defense des Vegetaux. Vol. 38, Pg. 195, 1984. |