N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

• ChemBase编号: 70519
• 分子式: C19H11F5N2O2
• 平均质量: 394.294856
• 单一同位素质量: 394.0740687
• SMILES: C(=O)(c1cccnc1Oc1cc(ccc1)C(F)(F)F)Nc1c(cc(cc1)F)F
• Canonical SMILES: Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F
• InChI: InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)
• InChIKey: WYEHFWKAOXOVJD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
• IUPAC传统名: diflufenican
• 别名: 吡氟酰草胺; N-(2,4-Difluorophenyl)-2-(3-(trifluoromethyl)-phenoxy)nicotinamide; N-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxamide; Brodal; Canyon; Diflufenicanil; FR 1078; Kwarc; Legato; Diflufenican; Diflufenican

登记号

• CAS号: 83164-33-4
• MDL号: MFCD01311804
• Beilstein号: 4212494
• PubChem SID: 162036234; 24869323
• PubChem CID: 91735

理论计算性质

• Acid pKa: 8.421474
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 5.1049557
• LogD (pH = 7.4): 5.068026
• Log P: 5.1054554
• 摩尔折射率: 92.3954 cm^3
• 极化性: 33.01755 Å^3
• 极化表面积: 51.22 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: Refrigerator
• 保存注意事项: IRRITANT
• RTECS编号: US4589800
• 德国WGK号: 2
• 危险公开号: 52/53
• 安全公开号: 61
• TSCA收录: false
• GHS危险声明: H412
• GHS警示性声明: P273
• 个人保护装置: Eyeshields, Gloves

产品相关信息

• 纯度: 95+%
• 级别: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C19H11F5N2O2

详细说明

Sigma Aldrich - 45751

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

Toronto Research Chemicals - D445640

Pre and post emergence foliar absorbed herbicide for winter weed control in cereal crops; carotenoid biosynthesis inhibitor.

参考文献

• Conte, E., et al.: J. Agric. Food Chem., 46, 4766 (1998)