1-{[bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole

• ChemBase ID: 127466
• Molecular Formular: C16H15F2N3Si
• Molecular Mass: 315.3927064
• Monoisotopic Mass: 315.10033047
• SMILES: c1ncnn1C[Si](C)(c1ccc(cc1)F)c1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C
• InChI: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole
• IUPAC Traditional name: flusilazole
• Synonyms: 1-[[Bis(4-fluorophenyl)methylsilyl]methyl]-1H-1,2,4-triazole; Benocarp; Cane Strike; Capitan; Cursor; DPD 78710F; DPX-H 6573; DPX-N 6573; Flusilazol; Lyric; Nustar; Olymp 10EX; Punch 40EC; Punch Bis; Sanction; DPX-H6573;; Flusilazole; Flusilazole; 克菌星

Database IDs

• CAS Number: 85509-19-9
• MDL Number: MFCD01076615
• Beilstein Number: 5824097
• PubChem SID: 24899142; 24869325; 162221785
• PubChem CID: 73675
• Wikipedia Title: Flusilazole

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.682927
• LogD (pH = 7.4): 4.6831965
• Log P: 4.6832
• Molar Refractivity: 89.79 cm^3
• Polarizability: 31.404701 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 315.392 g/cm^3

Safety Information

• RTECS: XZ4105000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• German water hazard class: 3
• Risk Statements: 61-22-40-51/53
• Safety Statements: 53-45-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H351-H360D-H411
• GHS Precautionary statements: P201-P273-P281-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 100 mg
• Empirical Formula (Hill Notation): C16H15F2N3Si

DETAILS

Sigma Aldrich - 45753

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - F598800

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

REFERENCES

• Moberg, W.K. et al.: Biol. Act. Organosil. Comp., 355, 288 (1987)
• Bostanian, N.J. et al.: Pest. Man. Sci., 57, 1007 (1987)
• Eckert, M.R. et al.: Pest. Man. Sci., 66, 396 (1987)