Propiconazole supplier | CasNO.60207-90-1

Name
Propiconazole
EINECS 262-104-4
CAS No. 60207-90-1
Article Data28
CAS DataBase
Density 1.39 g/cm³
Solubility 100 mg l-1(2O °C)
Melting Point <25 °C
Formula C₁₅H₁₇Cl₂N₃O₂
Boiling Point 479.9 °C at 760 mmHg
Molecular Weight 342.225
Flash Point 244.1 °C
Transport Information UN3082 9/PG 3
Appearance normally provided as a yellow liquid
Safety 36/37-46-60-61-45-16-7
Risk Codes 22-43-50/53-39/23/24/25-23/24/25-11
Molecular Structure
Hazard Symbols Xn, N, T, F
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;
PSA 49.17000
LogP 3.65340

Synthetic route

: 288-88-0
1,2,4-Triazole

: propiconazole iodide

: 60207-90-1
Propiconazole

Conditions

Conditions	Yield
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%

: C15H19Cl2N4O2(1+)*Br(1-)

: 60207-90-1
Propiconazole

Conditions

Conditions	Yield
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%

: 288-88-0
1,2,4-Triazole

: 2-(bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane

: 60207-90-1
Propiconazole

Conditions

Conditions	Yield
With ethyltriphenylphosphonium bromide; potassium carbonate In 1-methyl-pyrrolidin-2-one at 130℃; Reagent/catalyst;	88.6%

: 2-(bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane

: 60207-90-1
Propiconazole

Conditions

Conditions	Yield
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

: 2234-16-4
1-(2,4-dichlorophenyl)ethan-1-one

: 60207-90-1
Propiconazole

Conditions

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

: potassium 1,2,4-triazolate

: 2-(bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane

: 60207-90-1
Propiconazole

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide for 8h; Reflux;

: 77-92-9
citric acid

: 60207-90-1
Propiconazole

: 1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazol-4-ium dihydrogen citrate

Conditions

Conditions	Yield
In methanol at 20℃;	99%

: 75-75-2
methanesulfonic acid

: 60207-90-1
Propiconazole

: 1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazol-4-ium methanesulfonate

Conditions

Conditions	Yield
In methanol at 20℃;	99%

: 98-11-3
benzenesulfonic acid

: 60207-90-1
Propiconazole

: 1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazol-4-ium benzenesulfonate

Conditions

Conditions	Yield
In methanol at 20℃;	99%

: 110-16-7
maleic acid

: 60207-90-1
Propiconazole

: 1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazol-4-ium maleate

Conditions

Conditions	Yield
In methanol at 20℃;	98%
In hexane for 1h; Product distribution / selectivity;

: 47221-31-8
dodecylbenzene-sulphonic acid

: 60207-90-1
Propiconazole

: 1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazol-4-ium dodecylbenzenesulfonate

Conditions

Conditions	Yield
In methanol at 20℃;	98%

: 849585-22-4
LACTIC ACID

: 60207-90-1
Propiconazole

: 1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazol-4-ium D,L-lactate

Conditions

Conditions	Yield
In methanol at 20℃;	97%

: 104-15-4
toluene-4-sulfonic acid

: 60207-90-1
Propiconazole

: 1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazol-4-ium 4-methylbenzenesulfonate

Conditions

Conditions	Yield
In methanol at 20℃;	96%

: 625-45-6
2-methoxyacetic acid

: 60207-90-1
Propiconazole

: 1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazol-4-ium methoxyacetate

Conditions

Conditions	Yield
In methanol at 20℃;	92%

: 60207-90-1
Propiconazole

: 1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazol-4-ium chloride

Conditions

Conditions	Yield
With hydrogenchloride In water; toluene for 0.333333h;	90%

: 7646-85-7
zinc(II) chloride

: 60207-90-1
Propiconazole

: ZnCl2(propiconazole)2

Conditions

Conditions	Yield
In ethanol for 120h;	76.4%

: 60207-90-1
Propiconazole

: 1258956-62-5
2-[2-(2,4-dichlorophenyl)-4-propyl-[1,3]dioxolan-2-ylmethyl]-2,4-dihydro[1,2,4]triazole-3-thione

Conditions

Conditions	Yield
Stage #1: Propiconazole 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	35%

: 60207-90-1
Propiconazole

A: 58905-16-1
1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone

B: C15H16ClN3O2

C: 4-chloro-2-(2-methyl-2H-[1,2,4]triazol-3-yl)-benzoic acid 5-hydroxy-pentyl ester

Conditions

Conditions	Yield
With water Quantum yield; Kinetics; Product distribution; Further Variations:; var. irradiation times; phototransformation; UV-irradiation;

...Expand

: sodium hexachloroplatinate(IV) hexahydrate

: 60207-90-1
Propiconazole

: trans-[PtCl4(1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole)2]

Conditions

Conditions	Yield
In water; acetone mixing in ratio Na2PtCl6:(C2H2N3CH2(C6H3Cl2)C3H3O2C3H7)=1:1 or 1:2 in neutral water-acetone soln. for 3 h; filtration, washing with H2O; drying at room temp., elem. anal.;

: 7647-01-0
hydrogenchloride

: tetrachloroaurate(III)(1-)

: 60207-90-1
Propiconazole

: HAuCl4*(1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole)

Conditions

Conditions	Yield
In water; toluene Kinetics; mixing of gold(III) soln. in hydrochloric acid with soln. of 1-(2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl)-1H-1,2,4-trazole in toluene at 25°C; saturation of org. phase, pptn. with hexane, washing with hexane; drying, elem. anal.;

...Expand

: 7647-01-0
hydrogenchloride

: potassium hexachloroiridate(IV)

: 60207-90-1
Propiconazole

: [1-(2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl-methyl)-1H-1,2,4-triazole(+1H)]2[IrCl6]

Conditions

Conditions	Yield
In water; toluene saturating soln. of C3H7C3H3O2(CH2C2H2N3)C6H3Cl2 in toluene with 3.0 M HCl of K2IrCl6; pptn. by hexane;

...Expand

: 7647-01-0
hydrogenchloride

: dihydrogen hexachloroplatinate(IV) hexahydrate

: 60207-90-1
Propiconazole

: H2PtCl6*2(1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole)

Conditions

Conditions	Yield
In water; toluene dissolving of H2PtCl6*6H2O in hydrochloric acid; mixing with soln. of 1-(2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl)-1H-1,2,4-trazole in toluene; saturation of org. phase, pptn. with hexane, washing with hexane; drying, elem. anal.;

...Expand

: 7647-01-0
hydrogenchloride

: sodium tetrachloropalladate(II)

: 60207-90-1
Propiconazole

: H2PdCl4*2(1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole)

Conditions

Conditions	Yield
In water; toluene Kinetics; dissolving of PdCl2 in hydrochloric acid; mixing with soln. of 1-(2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl)-1H-1,2,4-trazole in toluene at 25°C; saturation of org. phase, pptn. with hexane, washing with hexane; drying, elem. anal.;

...Expand

: sodium tetrachloropalladate(II)

: 60207-90-1
Propiconazole

: trans-[PdCl2(1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole)2]

Conditions

Conditions	Yield
In water; acetone mixing in ratio Na2PdCl4:(C2H2N3CH2(C6H3Cl2)C3H3O2C3H7)=1:1 or 1:2 in neutral water-acetone soln. for 30 min; filtration, washing with H2O, drying at room temp., elem. anal.;

: 20759-14-2
ruthenium(III) chloride hydrate

: 60207-90-1
Propiconazole

: 1039726-56-1
[propicanazole(+1H)][RuCl4(H2O)2]

Conditions

Conditions	Yield
In toluene soln. of Ru salt in aq. HCl stirred with soln. of ligand in 15 vol % decanol in toluene at room temp.; not isolated; monitored by NMR and IR spectroscopy;

: 57-13-6
urea

: 60207-90-1
Propiconazole

: propiconazole - urea co-crystal

Conditions

Conditions	Yield
In 2-Methylpentane; acetone at 20 - 50℃; for 5h;

: 98-92-0
nicotinamide

: 60207-90-1
Propiconazole

: propiconazole - nicotinamide co-crystal

Conditions

Conditions	Yield
In ethyl acetate; acetone at 20 - 50℃; for 5h;

: 319-89-1
tetrahydroxy-1,4-quinone

: 60207-90-1
Propiconazole

: propiconazole - 2,3,5,6-tetrahydroxy-1,4-benzoquinone co-crystal

Conditions

Conditions	Yield
In methanol; acetone at 50℃; for 2h;

: 1121-78-4
5-Hydroxy-2-methylpyridine

: 60207-90-1
Propiconazole

: propiconazole - 5-hydroxy-2-methylpyridine co-crystal

Conditions

Conditions	Yield
In methanol; xylene at 20 - 50℃; for 5h;

: 3279-76-3
6-hydroxy-2-methylpyridine

: 60207-90-1
Propiconazole

: propiconazole - 2-hydroxy-6-methylpyridine co-crystal

Conditions

Conditions	Yield
In ethanol; acetonitrile at 50℃; for 2h;

: 1453-82-3
isonicotinamide

: 60207-90-1
Propiconazole

: propiconazole-isonicotinamide co-crystal

Conditions

Conditions	Yield
In methanol; 2-Methylpentane at 20 - 50℃; for 5h;

: 3937-56-2
1,9-Nonanediol

: 60207-90-1
Propiconazole

: propiconazole - 1,9-nonanediol co-crystal

Conditions

Conditions	Yield
In ethanol; 2-Methylpentane at 50℃; for 2h;

Propiconazole History

Propiconazole was first developed by Janssen Pharmaceutica in 1979.

Propiconazole Specification

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: Harmful Xn, Dangerous N, Toxic T, Flammable 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)	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.

Product Name

Propiconazole

Synthetic route

Propiconazole History

Propiconazole Specification

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