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

• ChemBase编号: 127466
• 分子式: C16H15F2N3Si
• 平均质量: 315.3927064
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 1-{[bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole
• IUPAC传统名: flusilazole
• 别名: 克菌星; 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

登记号

• CAS号: 85509-19-9
• MDL号: MFCD01076615
• Beilstein号: 5824097
• PubChem SID: 24899142; 24869325; 162221785
• PubChem CID: 73675
• 维基百科标题: Flusilazole

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.682927
• LogD (pH = 7.4): 4.6831965
• Log P: 4.6832
• 摩尔折射率: 89.79 cm^3
• 极化性: 31.404701 Å^3
• 极化表面积: 30.71 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 密度: 315.392 g/cm^3

安全信息

• RTECS编号: XZ4105000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 德国WGK号: 3
• 危险公开号: 61-22-40-51/53
• 安全公开号: 53-45-61
• GHS危险品标识: GHS07; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H302-H351-H360D-H411
• GHS警示性声明: P201-P273-P281-P308 + P313
• 个人保护装置: 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

产品相关信息

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

详细说明

Sigma Aldrich - 45753

法律信息
PESTANAL 注册商标 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

参考文献

• 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)