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| CAS No.: | 114369-43-6 |
|---|---|
| Name: | FENBUCONAZOLE |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C19H17 Cl N4 |
| Molecular Weight: | 336.824 |
| Synonyms: | 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile;AG 4452; Fenbuconazole; Fenethanil; Indar; Indar 5; RH 7592 |
| Density: | 1.18g/cm3 |
| Melting Point: | 125.0℃ |
| Boiling Point: | 546.3°Cat760mmHg |
| Flash Point: | 284.2°C |
| Solubility: | 0.2 mg l-1 (25 °C) |
| Hazard Symbols: |
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| Risk Codes: | 50/53 |
| Safety: | Moderately toxic by ingestion. Low toxicity by inhalation and skin contact. When heated to decomposition it emits toxic vapors of NOx and Cl−. |
| PSA: | 54.50000 |
| LogP: | 4.02588 |
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Chemistry
Chemistry informtion about Fenbuconazole (CAS NO.114369-43-6) is:
IUPAC Name: 4-(4-Chlorophenyl)-2-Phenyl-2-(1,2,4-Triazol-1-Ylmethyl)Butanenitrile
Synonyms: Enable(R) ; Fenbuconazol ; Fenbuconazole ; Fenethanil ; Govern(R) ; Indar ; Indar(R) ; Alpha-(3-(4-Chlorophenyl)Ethyl-Alpha-Phenyl)-(1h-1,2,4-Triazole)-1-Propanenitrile
Product Categories: Alpha sort ; ConazolesPesticides&Metabolites ; E-GAlphabetic ; F ; FA - FL ; Fungicides ; Pesticides ; ConazolesAlphabetic
MF: C19H17ClN4
MW: 336.82
EINECS: 406-140-2
Density: 1.18 g/cm3
Flash Point: 284.2 °C
Boiling Point: 546.3 °C at 760 mmHg
Vapour Pressure: 5.43E-12 mmHg at 25°C
Enthalpy of Vaporization: 82.54 kJ/mol
Storage temp.: 0-6°C
Following is the molecular structure of Fenbuconazole (CAS NO.114369-43-6) is:
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LC50 | inhalation | > 2100mg/m3/4H (2100mg/m3) | Pesticide Manual. Vol. 9, Pg. 157, 1991. | |
| rat | LD50 | oral | > 2gm/kg (2000mg/kg) | Pesticide Manual. Vol. 9, Pg. 157, 1991. | |
| rat | LD50 | skin | > 5gm/kg (5000mg/kg) | Pesticide Manual. Vol. 9, Pg. 157, 1991. |
Safety Profile
Moderately toxic by ingestion. Low toxicity by inhalation and skin contact. When heated to decomposition it emits toxic vapors of NOx and Cl−.
Hazard Codes:
N
Risk Statements:
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements:
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.
RIDADR: UN 3077 9/PG 3
RTECS: XZ5257500
Specification
Fenbuconazole (CAS NO.114369-43-6), a triazole fungicide, has been associated with an increase in the incidence of liver adenomas in female mice following long-term dietary exposure. The aim of this study was to evaluate whether the mode of action for liver tumor formation by Fenbuconazole is similar to that of phenobarbital. Treatment of CD1 mice with 0, 20, 60, 180 or 1300 ppm fenbuconazole for up to 4 weeks caused a dose-dependent increase in liver weight that was associated with centrilobular hepatocellular hypertrophy, cytoplasmic eosinophilia and panlobular hepatocellular vacuolation, as well as an initial increase in the cell proliferation labeling index. Fenbuconazole also caused a dose-dependent increase in liver microsomal cytochromes b5 and P450 and the levels of immunoreactive CYP2B10 and its associated activity 7-pentoxyresorufin O-dealkylation (PROD). Treatment of mice with 1000 ppm phenobarbital elicited the same effects as treatment of mice with 1300 ppm fenbuconazole, except that phenobarbital was more effective than fenbuconazole at inducing PROD activity, even though Fenbuconazole induced CYP2B10 to the same extent as did phenobarbital. This difference was attributed to the ability of fenbuconazole to bind tightly to CYP2B10 and partially mask its catalytic activity in liver microsomes, which is characteristic of several azole-containing drugs. All hepatocellular changes and induced enzyme activity returned to control levels within 4 weeks of discontinuing treatment with fenbuconazole or phenobarbital, indicating that the observed changes were fully reversible. We conclude that fenbuconazole is a phenobarbital-type inducer of mouse liver cytochrome P450, and the mode of action by which fenbuconazole induces liver adenomas in mice is similar to that of phenobarbital.