(2,3,5,6-tetrafluoro-4-methylphenyl)methyl (1R,3R)-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate

• ChemBase编号: 157896
• 分子式: C17H14ClF7O2
• 平均质量: 418.7336824
• 单一同位素质量: 418.05705491
• SMILES: Cc1c(c(c(c(c1F)F)COC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl)F)F
• Canonical SMILES: O=C([C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C
• InChI: InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/t8-,10-/m0/s1
• InChIKey: ZFHGXWPMULPQSE-WPRPVWTQSA-N

名称和登记号

名称

• IUPAC标准名: (2,3,5,6-tetrafluoro-4-methylphenyl)methyl (1R,3R)-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate
• IUPAC传统名: (2,3,5,6-tetrafluoro-4-methylphenyl)methyl (1R,3R)-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate
• 别名: 七氟菊酯; Tefluthrin

登记号

• CAS号: 79538-32-2
• MDL号: MFCD00274607
• Beilstein号: 8398039
• PubChem SID: 162252032; 24861842
• PubChem CID: 11350631

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.513538
• LogD (pH = 7.4): 5.513538
• Log P: 5.513538
• 摩尔折射率: 84.871 cm^3
• 极化性: 30.906963 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

安全信息

• RTECS编号: GZ1227850
• 欧盟危险性物质标志: 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 23/24-28
• 安全公开号: 22-28-36/37/39-45
• GHS危险品标识: GHS06; GHS09
• GHS警示词: Danger
• GHS危险声明: H300-H310-H331-H400
• GHS警示性声明: P261-P264-P273-P280-P301 + P310-P302 + P350
• 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
• RID/ADR: UN 2811 6.1/PG 2

产品相关信息

• 级别: PESTANAL®, analytical standard
• 简要说明: mixture of isomers
• Empirical Formula (Hill Notation): C17H14ClF7O2

详细说明

Sigma Aldrich - 35548

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