cyano(4-fluoro-3-phenoxyphenyl)methyl 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate

• ChemBase编号: 158275
• 分子式: C28H22Cl2FNO3
• 平均质量: 510.3835832
• 单一同位素质量: 509.09607715
• SMILES: CC1(C(C1C(=O)OC(C#N)c1ccc(c(c1)Oc1ccccc1)F)/C=C(/c1ccc(cc1)Cl)\Cl)C
• Canonical SMILES: N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)/C=C(/c1ccc(cc1)Cl)\Cl
• InChI: InChI=1S/C28H22Cl2FNO3/c1-28(2)21(15-22(30)17-8-11-19(29)12-9-17)26(28)27(33)35-25(16-32)18-10-13-23(31)24(14-18)34-20-6-4-3-5-7-20/h3-15,21,25-26H,1-2H3
• InChIKey: YXWCBRDRVXHABN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: cyano(4-fluoro-3-phenoxyphenyl)methyl 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate; cyano(4-fluoro-3-phenoxyphenyl)methyl 3-[2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate
• IUPAC传统名: flumethrin
• 别名: 氰基(4-氟代-3-苯氧基苯基)甲基 3-[2-氯-2-(4-氯苯基)乙烯基]-2,2-二甲基环丙烷羧酸酯; 氟氯苯菊酯; 3-[2-Chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropanecarboxylic Acid Cyano(4-fluoro-3-phenoxyphenyl)methyl Ester; Bayticol; Bayvarol; FCR 2769; Flumethrin; Cyano(4-fluoro-3-phenoxyphenyl)methyl 3-[2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropanecarboxylate; Flumethrin

登记号

• CAS号: 69770-45-2
• EC号: 274-110-4
• MDL号: MFCD00867373
• PubChem SID: 24870148; 162252411
• PubChem CID: 6033664

理论计算性质

• Acid pKa: 10.311151
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 7.193601
• LogD (pH = 7.4): 7.193076
• Log P: 7.193608
• 摩尔折射率: 134.1979 cm^3
• 极化性: 51.73628 Å^3
• 极化表面积: 59.32 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: 104 °C; 219.2 °F

安全信息

• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2810
• 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: 23/24/25-36/38-43
• 安全公开号: 28-36/37-45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301 + H311 + H331-H315-H317-H319
• GHS警示性声明: P261-P280-P301 + P310-P305 + P351 + P338-P311
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 2

产品相关信息

• 级别: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C28H22Cl2FNO3

详细说明

Sigma Aldrich - 46417

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

Toronto Research Chemicals - F455050

Flumethrin is a synthetic pyrethroid insecticide used in the control of parasites, particularly ticks, on cattle, sheep, goats, horses, and dogs. Flumethrin is also used for control of mites in beehives.

参考文献

• Stendel, W. et al.: VMR Vet. Med. Rev., 2, 115 (1982)
• Ahrens, E.H. et al.: J. Econ. Entomol., 91, 1133 (1982)
• Roy, S. et al.: Ind. Vet. J., 82, 778 (1982)