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| CAS No.: | 60207-31-0 |
|---|---|
| Name: | Azaconazole |
| Molecular Structure: | |
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|
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| Formula: | C12H11 Cl2 N3 O2 |
| Molecular Weight: | 300.144 |
| Synonyms: | 1-[[2-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole;Azaconazole; Azoconazole; Madurox; R 28644; Rodewod |
| EINECS: | 262-102-3 |
| Density: | 1.51 g/cm3 |
| Melting Point: | 112.6°C |
| Boiling Point: | 460.7 °C at 760 mmHg |
| Flash Point: | 232.4 °C |
| Solubility: | 0.3g/l (20°C), In water |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| Safety: | 46 |
| PSA: | 49.17000 |
| LogP: | 2.48470 |
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| Conditions | Yield |
|---|---|
| Stage #1: 1,2,4-Triazole With sodium In methanol at 20℃; for 0.5h; Stage #2: 2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane With potassium iodide for 3h; Reflux; | 59.98% |
| Stage #1: 1,2,4-Triazole With sodium In methanol at 20℃; for 0.5h; Stage #2: 2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane With potassium iodide In N,N-dimethyl-formamide at 130℃; for 3h; | 59.98% |
| With sodium In N-methyl-acetamide; methanol |
- 107-21-1
ethylene glycol
- 58905-16-1
1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone
- 60207-31-0
azaconazole
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In pentan-1-ol for 20h; Reflux; | 56.7% |
| With toluene-4-sulfonic acid In 5,5-dimethyl-1,3-cyclohexadiene; pentan-1-ol for 20h; Reflux; | 56.7% |
- 60207-31-0
azaconazole
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hydrogenchloride; sodium nitrite / water / 0 - 5 °C 2: toluene-4-sulfonic acid / pentan-1-ol / 20 h / Reflux View Scheme |
- 2234-16-4
1-(2,4-dichlorophenyl)ethan-1-one
- 60207-31-0
azaconazole
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: bromine / butan-1-ol / 2 h / 20 °C 1.2: 4 h / Reflux 2.1: sodium / methanol / 0.5 h / 20 °C 2.2: 3 h / Reflux View Scheme | |
| Multi-step reaction with 3 steps 1.1: aluminum (III) chloride; bromine / diethyl ether / Cooling with ice 2.1: toluene-4-sulfonic acid / butan-1-ol; benzene / 6 h / Reflux 3.1: sodium / methanol / 0.5 h / 20 °C 3.2: 3 h / Reflux View Scheme | |
| Multi-step reaction with 3 steps 1: aluminum (III) chloride; chlorine / diethyl ether / Cooling with ice 2: isopropyl alcohol / 4 h / Reflux 3: toluene-4-sulfonic acid / pentan-1-ol / 20 h / Reflux View Scheme | |
| Multi-step reaction with 3 steps 1.1: toluene-4-sulfonic acid / benzene; butan-1-ol / 6 h / 86 - 87 °C 2.1: bromine / 20 °C 3.1: sodium / methanol / 0.5 h / 20 °C 3.2: 3 h / 130 °C View Scheme | |
| Multi-step reaction with 3 steps 1.1: aluminum (III) chloride; bromine / diethyl ether / Cooling with ice 2.1: toluene-4-sulfonic acid / benzene; butan-1-ol / 5 h / 87 - 88.5 °C 3.1: sodium / methanol / 0.5 h / 20 °C 3.2: 3 h / 130 °C View Scheme |
- 2631-72-3
2,4-dichlorophenacyl bromide
- 60207-31-0
azaconazole
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: toluene-4-sulfonic acid / butan-1-ol; benzene / 6 h / Reflux 2.1: sodium / methanol / 0.5 h / 20 °C 2.2: 3 h / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1.1: toluene-4-sulfonic acid / benzene; butan-1-ol / 5 h / 87 - 88.5 °C 2.1: sodium / methanol / 0.5 h / 20 °C 2.2: 3 h / 130 °C View Scheme |
- 4252-78-2
2,2',4'-trichloroacetophenone
- 60207-31-0
azaconazole
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: isopropyl alcohol / 4 h / Reflux 2: toluene-4-sulfonic acid / pentan-1-ol / 20 h / Reflux View Scheme |
- 541-73-1
1,3-Dichlorobenzene
- 60207-31-0
azaconazole
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: aluminum (III) chloride / 1,2-dichloro-benzene / 0.33 h 1.2: Cooling with ice 2.1: bromine / butan-1-ol / 2 h / 20 °C 2.2: 4 h / Reflux 3.1: sodium / methanol / 0.5 h / 20 °C 3.2: 3 h / Reflux View Scheme | |
| Multi-step reaction with 4 steps 1.1: aluminum (III) chloride / 1,2-dichloro-benzene / 0.33 h 1.2: Cooling with ice 2.1: aluminum (III) chloride; chlorine / diethyl ether / Cooling with ice 3.1: isopropyl alcohol / 4 h / Reflux 4.1: toluene-4-sulfonic acid / pentan-1-ol / 20 h / Reflux View Scheme | |
| Multi-step reaction with 4 steps 1.1: aluminum (III) chloride / 1,2-dichloro-benzene / 0.33 h 1.2: Cooling with ice 2.1: aluminum (III) chloride; bromine / diethyl ether / Cooling with ice 3.1: toluene-4-sulfonic acid / butan-1-ol; benzene / 6 h / Reflux 4.1: sodium / methanol / 0.5 h / 20 °C 4.2: 3 h / Reflux View Scheme |
- 60207-31-0
azaconazole
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: bromine / 20 °C 2.1: sodium / methanol / 0.5 h / 20 °C 2.2: 3 h / 130 °C View Scheme |
- 118227-30-8
1-(2,4-dichlorophenyl)-2-(4-amino-4H-1,2,4-triazoliumyl)ethanone chloride
- 60207-31-0
azaconazole
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hydrogenchloride; sodium nitrite / water / 0 - 20 °C 2: toluene-4-sulfonic acid / pentan-1-ol; 5,5-dimethyl-1,3-cyclohexadiene / 20 h / Reflux View Scheme |
- 60207-31-0
azaconazole
| Conditions | Yield |
|---|---|
| With nitric acid In di-isopropyl ether | 3.0 g |
| With nitric acid In di-isopropyl ether Cooling; | 3 g |
- Total:33 Page 1 of 1 1
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Chemistry
Molecular Formula: C12H11Cl2N3O2
Molar mass: 300.14 g/mol
EINECS: 262-102-3
Density: 1.51 g/cm3
Flash Point: 232.4 °C
Index of Refraction: 1.658
Boiling Point: 460.7 °C at 760 mmHg
Vapour Pressure: 1.14E-08 mmHg at 25°C
Storage temp: 0-6°C
Structure of Azaconazole (60207-31-0):
XLogP3-AA: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 4
IUPAC Name: 1-[[2-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Canonical SMILES: C1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2
InChIKey: AKNQMEBLVAMSNZ-UHFFFAOYSA-N
Uses
Azaconazole (60207-31-0) can be used for wood preservation.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | oral | 114mg/kg (114mg/kg) | Pesticide Manual. Vol. 9, Pg. 43, 1991. | |
| mouse | LD50 | oral | 1123mg/kg (1123mg/kg) | Pesticide Manual. Vol. 9, Pg. 43, 1991. | |
| rat | LD50 | oral | 308mg/kg (308mg/kg) | Pesticide Manual. Vol. 9, Pg. 43, 1991. | |
| rat | LD50 | skin | > 2560mg/kg (2560mg/kg) | Pesticide Manual. Vol. 9, Pg. 43, 1991. |
Safety Profile
Hazard Codes: Xn.gif){kind=small}
Risk Statements:
22: Harmful if swallowed
Safety Statements:
46: If swallowed, seek medical advice immediately and show this container or label
Specification
Azaconazole (60207-31-0) also can be called 1H-1,2,4-triazole, 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]- ; 1-{[2-(2,4-Dichlorphenyl)-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazol ; 1-[[2-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole .