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| CAS No.: | 83657-22-1 |
|---|---|
| Name: | Uniconazole |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C15H18ClN3O |
| Molecular Weight: | 291.78 |
| Synonyms: | 1H-1,2,4-Triazole-1-ethanol,b-[(4-chlorophenyl)methylene]-a-(1,1-dimethylethyl)-, (E)-(?à)-;(E)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol;1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methylene]-a-(1,1-dimethylethyl)-, (E)-;M 13144;Majic;Majic S3307D;Pentefenzol;Prunit;S 07;S 327D;S 3307;S 3307D;Sumagic;Sumiseven; |
| Density: | 1.18 g/cm3 |
| Melting Point: | 153 °C |
| Boiling Point: | 474.6 °C at 760 mmHg |
| Flash Point: | 240.8 °C |
| Appearance: | White-light brown crystalline |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 50.94000 |
| LogP: | 3.33660 |
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Chemistry
Molecule structure of Uniconazole (CAS NO.83657-22-1):
IUPAC Name: (E)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
Molecular Weight: 291.77592 g/mol
Molecular Formula: C15H18ClN3O
Melting Point: 153 deg C
Boiling Point: 474.6 °C at 760 mmHg
Flash Point: 240.8 °C
Index of Refraction: 1.579
Molar Refractivity: 82.07 cm3
Molar Volume: 246.6 cm3
Polarizability: 32.53×10-24 cm3
Surface Tension: 41 dyne/cm
Density: 1.18 g/cm3
Enthalpy of Vaporization: 77.74 kJ/mol
Vapour Pressure: 8.19E-10 mmHg at 25 °C
Water Solubility: 8.41 mg/L
Storage Temp.: 0-6 °C
XLogP3-AA: 3.6
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 291.11384
MonoIsotopic Mass: 291.11384
Topological Polar Surface Area: 50.9
Heavy Atom Count: 20
Complexity: 346
Canonical SMILES: CC(C)(C)C(C(=CC1=CC=C(C=C1)Cl)N2C=NC=N2)O
Isomeric SMILES: CC(C)(C)C(/C(=C\C1=CC=C(C=C1)Cl)/N2C=NC=N2)O
InChI: InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+
InChIKey: YNWVFADWVLCOPU-MDWZMJQESA-N
Product Categories: PLANT GROWTH REGULATOR
Uses
Uniconazole (CAS NO.83657-22-1) is a triazole broad-spectrum plant growth regulator. It is used as a synthesis inhibitor drug adriamycin.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 1790mg/kg (1790mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C317, 1991. | |
| rat | LD50 | skin | > 2gm/kg (2000mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C317, 1991. |
Safety Profile
Moderately toxic by ingestion and skin contact. When heated to decomposition it emits toxic vapors of NOx and Cl−.
Specification
Uniconazole (CAS NO.83657-22-1) is also named as 5-26-01-00166 (Beilstein Handbook Reference) ; BRN 0662790 ; EPA Pesticide Chemical Code 128976 ; S 3307D ; Uniconazole-P ; XE 1019D ; XE-1019D Technical ; 1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (E)-(+-)- ; 1H-1,2,4-Triazole-1-ethanol, beta-((4-
chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (betaE)- .