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CAS No.: | 60207-90-1 |
---|---|
Name: | Propiconazole |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C15H17Cl2N3O2 |
Molecular Weight: | 342.225 |
Synonyms: | Propiconazol;Wocosin;Tilt;Cane Sett Treatment;CGA 64250;Desmel;1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole;1H-1,2,4-Triazole,1-[[2-(2,4-dichlorophenyl)- 4-propyl-1,3-dioxolan-2-yl]methyl]-;Proconazole;Radar (insecticide);Juno (pesticide);CGD 92710F;Propiconaozle;cis-trans-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole;Propiconzaole;1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole;Propuconazol; |
EINECS: | 262-104-4 |
Density: | 1.39 g/cm3 |
Melting Point: | <25 °C |
Boiling Point: | 479.9 °C at 760 mmHg |
Flash Point: | 244.1 °C |
Solubility: | 100 mg l-1(2O °C) |
Appearance: | normally provided as a yellow liquid |
Hazard Symbols: | Xn, N, T, F |
Risk Codes: | 22-43-50/53-39/23/24/25-23/24/25-11 |
Safety: | 36/37-46-60-61-45-16-7 |
Transport Information: | UN3082 9/PG 3 |
PSA: | 49.17000 |
LogP: | 3.65340 |
Conditions | Yield |
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Stage #1: 1,2,4-Triazole With sodium hydroxide In toluene Reflux; Stage #2: propiconazole iodide In N,N-dimethyl-formamide at 90 - 100℃; Solvent; | 97.5% |
Propiconazole
Conditions | Yield |
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Stage #1: C15H19Cl2N4O2(1+)*Br(1-) With hydrogenchloride; sodium nitrite In water at 10 - 20℃; for 2h; Stage #2: With water at 40℃; Temperature; Alkaline conditions; | 94.3% |
1,2,4-Triazole
Propiconazole
Conditions | Yield |
---|---|
With ethyltriphenylphosphonium bromide; potassium carbonate In 1-methyl-pyrrolidin-2-one at 130℃; Reagent/catalyst; | 88.6% |
Propiconazole
Conditions | Yield |
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Multi-step reaction with 2 steps 1.1: butan-1-ol / 8 h / 90 °C 2.1: hydrogenchloride; sodium nitrite / water / 2 h / 10 - 20 °C 2.2: 40 °C / Alkaline conditions View Scheme |
1-(2,4-dichlorophenyl)ethan-1-one
Propiconazole
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: dihydrogen peroxide; sodium percarbonate; bromine / 1,2-dichloro-ethane / 20 - 45 °C 2: toluene-4-sulfonic acid / toluene / 4 h / Reflux 3: potassium carbonate / dimethyl sulfoxide / 8 h / Reflux View Scheme |
Propiconazole
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide for 8h; Reflux; |
citric acid
Propiconazole
Conditions | Yield |
---|---|
In methanol at 20℃; | 99% |
methanesulfonic acid
Propiconazole
Conditions | Yield |
---|---|
In methanol at 20℃; | 99% |
benzenesulfonic acid
Propiconazole
Conditions | Yield |
---|---|
In methanol at 20℃; | 99% |
maleic acid
Propiconazole
Conditions | Yield |
---|---|
In methanol at 20℃; | 98% |
In hexane for 1h; Product distribution / selectivity; |
Propiconazole was first developed by Janssen Pharmaceutica in 1979.
1.Introduction of Propiconazole
Propiconazole ,with its cas register number 60207-90-1, is a kind of yellowish, odourless, viscous liquid. It also can be called 1-(2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl)-1H-1,2,4-triazole ; Banner ; CGA-64250 ; CGD 92710F ; Caswell No. 323EE ; Desmel ; EPA Pesticide Chemical Code 122101 ; HSDB 6731 ; Orbit and Propiconazole. Propiconazole should be stored in shady and cool warehouse.
2. Properties of Propiconazole
(1) Index of Refraction: 1.623 (2) Molar Refractivity: 86.41 cm3 (3) Molar Volume: 244.8 cm3
(4) Polarizability: 34.25×10-24cm3 (5) Surface Tension: 48.4 dyne/cm (6) Density: 1.39 g/cm3
(7) Flash Point: 244.1 °C (8) Enthalpy of Vaporization: 74.44 kJ/mol (9) Boiling Point: 479.9 °C at 760 mmHg
(10) Vapour Pressure: 2.26E-09 mmHg at 25°C
3.Structure descriptors of Propiconazole
Canonical SMILES: CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3
InChIKey: STJLVHWMYQXCPB-UHFFFAOYSA-N
4. Safety information of Propiconazole
Hazard Codes: Xn,N,T,F
Risk Statements: 22-43-50/53-39-23/24/25-11
R22:Harmful if swallowed.
R43:May cause sensitization by skin contact.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R39:Danger of very serious irreversible effects.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
R11:Highly flammable.
Safety Statements: 36/37-46-60-61-45-16-7
S36/37:Wear suitable protective clothing and gloves.
S46:If swallowed, seek medical advice immediately and show this container or label.
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S16:Keep away from sources of ignition.
S7:Keep container tightly closed.
RIDADR: UN3082 9/PG 3
RTECS: XZ4620000
Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−.
5. Uses of Propiconazole
Propiconazole is a triazole fungicide used agriculturally on grasses grown for seed, mushrooms, corn, wild rice, peanuts, almonds, sorghum, etc. Propiconazole can be absorbed by the roots, stems and leaves, and plants conduct it upward quickly.
6.Toxicity data of Propiconazole
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LC50 | inhalation | 1264mg/m3/4H (1264mg/m3) | National Technical Information Service. Vol. OTS0543201, | |
rat | LD50 | oral | 1517mg/kg (1517mg/kg) | Proceedings-British Crop Protection Conference-Pests and Diseases. Vol. -, Pg. 508, 1979. | |
rat | LD50 | skin | > 4gm/kg (4000mg/kg) | Proceedings-British Crop Protection Conference-Pests and Diseases. Vol. -, Pg. 508, 1979. |