Flusilazole (HCID 73675)

Namen und Bezeichner

Bevorzugter Name: Flusilazole
IUPAC: bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane
Englischer Name: Flusilazole
Summenformel: C16H15F2N3Si
Molmasse: 315.4

Namen und Synonyme

Flusilazole85509-19-9NustarFlusilazolOlympPunchFluzilazolSanctionDPX-H 6573DTXSID3024235F3WG2VVD87Bis(4-fluorophenyl)methyl(1H-1,2,4-triazol-1-ylmethyl)silane

Weitere Namen anzeigen

FlusiazoleMTDHLyric3D3AEG1Cursor

DPX-H65731-((Bis(4-fluorophenyl)(methyl)silyl)methyl)-1H-1,2,4-triazoleDTXCID704235CHEBI:819221-{[bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole1H-1,2,4-Triazole, 1-((bis(4-fluorophenyl)methylsilyl)methyl)-bis(4-fluorophenyl)(methyl)(1H-1,2,4-triazol-1-ylmethyl)silane1H-1,2,4-Triazole, 1-[[bis(4-fluorophenyl)methylsilyl]methyl]-

Datenbank-Bezeichner

CAS: 85509-19-9
PubChem CID: 73675
DTXSID: DTXSID3024235
ChEMBL: CHEMBL1900522
ChEBI: CHEBI:81922
UNII: F3WG2VVD87
EC Number: 617-717-5
Nikkaji: J791.573J

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 30,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 22
Formalladung: 0
Komplexität: 333

Experimentelle und physikochemische Eigenschaften

LogP3.70

Melting Point48 °C

Physical DescriptionSolid

Ionization Efficiency · 6 Einträge

Positive

3.88

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Kovats Retention Index · 2 Einträge

2184.1；2194.3

2202；2192.3；2185.6；2190.8

Collision Cross Section174.9 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3024235]；176.6 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3024235]

Physikochemische Eigenschaften

Schmelzpunkt: 55 ° · 55°
Siedepunkt: 393 °C · 393 °C [760mmHg]
Dichte: 1.17 · 1.17
Dampfdruck: 3.9 x · 3.9 x l0-8 Pa (25 °C)
Brechungsindex: 1.563 · 1.563
Flammpunkt: 192 °C · 192°C
storage temp.: 0 · 0-6°C
Löslichkeit: 100 mg/mL · DMSO : 100 mg/mL (317.07 mM; Need ultrasonic)
pka: 2.5 at · 2.5 at 25℃
Wasserlöslichkeit: 900 mg · 900 mg l-1 (pH 1.1), 50 mg l-1 (pH 5.7), 45 mg l-1 (pH 7.8) at 25 °C
Aggregatzustand: Solid
Farbe: White to off-white
Biologische Quelle: mouse
Merck: 13 · 13,4232
BRN: 5824097 · 5824097
Henry's Law Constant: 2.7 · 2.7×101 mol/(m3Pa) at 25℃, Barcelo and Hennion (1997)
Major Application: 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 · 85509-19-9(CAS DataBase Reference)
EPA chemische Informationen: Flusilazole (85509-19-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302: 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)

Danger

Gefahrenhinweise

Regulatory Information · 5 Einträge

Hazard Traits - Reproductive Toxicity；Authoritative List - EC Annex VI CMRs - Cat. 1B；Report - if used as a fragrance or flavor ingredient

Regulation (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 540/2011

Flusilazole: 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 · 3 Einträge

Acute Tox. 4 (100%)；Carc. 2 (100%)；Repr. 1B (65.1%)；Repr. 1B (34.9%)；Aquatic Chronic 2 (100%)

Carcinogenicity - category 2；Reproductive toxicity - category 1B；Acute toxicity - category 4；Hazardous to the aquatic environment (chronic) - category 2

Carc. 2；Repr. 1B；Acute Tox. 4 *；Aquatic Chronic 2

Toxikologische Informationen

Target OrgansHepatic

Health EffectsFlusilazole 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.

Toxicity Summary · 1 Eintrag

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 · 1 Eintrag

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 · 3 Einträge

NuStar

Hepatic

7 x 10 ^-4 mg/kg-day

Carcinogen ClassificationNot listed by IARC.

Regulatorische Informationen

Regulatory Information · 5 Einträge

Hazard Traits - Reproductive Toxicity；Authoritative List - EC Annex VI CMRs - Cat. 1B；Report - if used as a fragrance or flavor ingredient

Regulation (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 540/2011

Flusilazole: 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.

Sicherheitsdaten

wgk: 3
ridadr: UN 2588
RTECS-Nr.: XZ4105000
risk_code: 61-22-40-51/53
Toxizität: LD50 in male, female rats (mg/kg): 1110, 674 orally; in rabbits >2000 dermally (Fort, Moberg)
hazard_code: T;N,N,T
safety_code: 53-45-61
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Carc. 2Repr. 1B

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationChemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc.

Cellular LocationsMembrane

Verwendung und Herstellung

UsesThis is a man-made compound that is used as a pesticide.

Use ClassificationFungicides

Anwendungen

VerwendenFlusilazole is a silicon-containing triazole fungicide. Flusilazole is used to control fungal infections on a variety of fruit and vegetable crops