1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-ol

• ChemBase编号: 158154
• 分子式: C16H13F2N3O
• 平均质量: 301.2907264
• 单一同位素质量: 301.10266849
• SMILES: c1ccc(c(c1)C(Cn1cncn1)(c1ccc(cc1)F)O)F
• Canonical SMILES: Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O
• InChI: InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2
• InChIKey: JWUCHKBSVLQQCO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-ol
• IUPAC传统名: impact sopra
• 别名: 粉唑醇; α-(2-Fluorophenyl)-α-(4-fluorophenyl)-1H-1,2,4-triazole-1-ethanol; Impact; PP 450; PP 450-5; R 152450; Flutriafol; Flutriafol

登记号

• CAS号: 76674-21-0
• MDL号: MFCD00144319
• Beilstein号: 8155287
• PubChem SID: 162252290; 24861162
• PubChem CID: 91727

理论计算性质

• Acid pKa: 12.558344
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.6034214
• LogD (pH = 7.4): 2.6036446
• Log P: 2.6036506
• 摩尔折射率: 89.8466 cm^3
• 极化性: 29.032335 Å^3
• 极化表面积: 50.94 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• RTECS编号: XZ4825000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22
• 安全公开号: 22-24/25
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 级别: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C16H13F2N3O

详细说明

Sigma Aldrich - 34344

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - F599700

Flutriafol is a systemic fungicide of the triazole class. Flutriafol has broad spectrum fungicidal activity and is used to control effectively cereal powdery mildew, cloud disease, leaf spot disease and rust disease.

参考文献

• Gozzo, F. et al.: Pest. Biochem. Physiol., 40, 68 (1991)
• Cao, W. et al.: Jing. Huag. Zhong., 36, 33 (1991)
• Evans, V.J. et al.: BCPC Conf. Pests Dis., 1, 511 (1991)