HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Flusilazole
Flusiazole · MTDH · Lyric · PUNCH · flusilazol · 3D3 · AEG1 · OLYMP
Identifikatoren & physikalische Daten
| CAS No. | 85509-19-9 |
|---|---|
| Summenformel | C16H15F2N3Si |
| Durchschnittliche Molmasse | 315,39 g/mol |
| Monoisotopische Masse | 315,10033035 g/mol |
| SMILES | C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1 |
| InChIKey | FQKUGOMFVDPBIZ-UHFFFAOYSA-N |
| PubChem CID | 73675 |
| ChEMBL | CHEMBL1900522 |
| ChEBI | CHEBI:81922 |
| EC No. | 617-717-5 |
| DTXSID | DTXSID3024235 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 30,7 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 333 |
| LogP (Verteilungskoeffizient) | 3.70 |
| Schmelzpunkt | 48 °C55° |
| Physical Description | Solid |
| Ionization Efficiency | Positive3.882.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Kovats Retention Index | 2184.12194.322022192.32185.62190.8 |
| Collision Cross Section | 174.9 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID3024235]176.6 Ų [M+H]+ [CCS Type: DTIonization: APCI+ |
| Siedepunkt | 393 °C [760mmHg] |
| Dichte | 1.17 |
| Dampfdruck | 3.9 x l0-8 Pa (25 °C) |
| Brechungsindex | 1.563 |
| Flammpunkt | 192°C |
| Lagerbedingungen | 0-6°C |
| Löslichkeit | DMSO : 100 mg/mL (317.07 mMNeed ultrasonic)900 mg l-1 (pH 1.1), 50 mg l-1 (pH 5.7), 45 mg l-1 (pH 7.8) at 25 °C |
| pKa (Säurekonstante) | 2.5 at 25℃ |
| Aggregatzustand | Solid |
| Farbe | White to off-white |
| Biologische Quelle | mouse |
| Merck | 13,4232 |
| BRN | 5824097 |
| Henry-Konstante | 2.7×101 mol/(m3Pa) at 25℃, Barcelo and Hennion (1997) |
| Hauptanwendungen | agriculturecleaning productscosmeticsenvironmentalfood and beveragespersonal care |
| InChI | 1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3 |
| InChIKey | FQKUGOMFVDPBIZ-UHFFFAOYSA-N |
| SMILES | C[Si](Cn1cncn1)(c2ccc(F)cc2)c3ccc(F)cc3 |
| CAS Datenbank | 85509-19-9(CAS DataBase Reference) |
| EPA chemische Informationen | Flusilazole (85509-19-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]H351: Suspected of causing cancer [Warning Carcinogenicity]H360D ***: May damage the unborn child [Danger Reproductive toxicity]H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Hazard Traits - Reproductive ToxicityAuthoritative List - EC Annex VI CMRs - Cat. 1BReport - if used as a fragrance or flavor ingredientRegulation (EC) No 396/2005 (amended)Flusilazole is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)06/133/EC, Reg. (EU) 2022/801, Reg. (EU) No 540/2011Flusilazole: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Carc. 2 (100%)Repr. 1B (65.1%)Repr. 1B (34.9%)Aquatic Chronic 2 (100%)Carcinogenicity - category 2Reproductive toxicity - category 1BAcute toxicity - category 4Hazardous to the aquatic environment (chronic) - category 2Acute Tox. 4 *Aquatic Chronic 2 |
| Zielorgane | Hepatic |
| Gesundheitliche Auswirkungen | Flusilazole can cause testicular Leydig-cell tumours and bladder tumours in rats and hepatocellular tumours in mouse. An increased gestation length and increased placental weight have been found in the reproductive toxicity studies. |
| Toxizitätsübersicht | Flusilazole has a dose-related inhibition of serum testosterone and estradiol concentrations in rats. This inhibition of testosterone and estradiol biosynthesis may disrupt the hypothalamus–pituitary–testis axis, resulting in overstimulation of the testicular endocrine tissues and increase the risk of Leydig-cell tumours. |
| Signs and Symptoms | Symptoms include weight loss, weakness, lethargy, alopecia and diarrhoea. At higher dose, prostration, salivation, laboured breathing, convulsions, and loss of righting reflex would be expected. Flusilazole can also cause mild erythema at the site of application. |
| EPA IRIS Information | NuStarHepatic7 x 10 ^-4 mg/kg-day |
| Carcinogen Classification | Not listed by IARC. |
| Toxicity Data | LD50 (rat, oral) =1110 mg/kg (m) LD50 (rat, dermal) >2000 mg/kg |
| RAIS Toxicity Values | 0.02OPP0.002 |
| EPA Human Health Benchmarks for Pesticides | Flusilazole0.02600Females 13-49 yrs0.00210 |
| Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 | 1.30e+021.60e+033.10e+014.00e+035.10e+002.00e-03 |
| Hazard Quotient Level 3 or Cancer Risk Level 1E-04 | 3.80e+024.90e+039.40e+014.00e+032.00e-03Volatile |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2588 |
| RTECS-Nr. | XZ4105000 |
| R-Sätze (R) | 61-22-40-51/53 |
| Toxizität | LD50 in male, female rats (mg/kg): 1110, 674 orallyin rabbits >2000 dermally (Fort, Moberg) |
| Gefahrensymbole | TN,N,T |
| Sicherheitshinweise (S) | 53-45-61 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Chronic 2Carc. 2Repr. 1B |
Anwendungen & Verwendung
Verwenden
Flusilazole is a silicon-containing triazole fungicide. Flusilazole is used to control fungal infections on a variety of fruit and vegetable crops