[3-(2H5)phenoxyphenyl]methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

• ChemBase编号: 176177
• 分子式: C21H20Cl2O3
• 平均质量: 391.2877
• 单一同位素质量: 390.07894986
• SMILES: c1cc(ccc1)Oc1cccc(c1)COC(=O)C1C(C1C=C(Cl)Cl)(C)C
• Canonical SMILES: ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl
• InChI: InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3
• InChIKey: RLLPVAHGXHCWKJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [3-(^2H₅)phenoxyphenyl]methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
• IUPAC传统名: [3-(^2H₅)phenoxyphenyl]methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
• 别名: 3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic Acid (3-Phenoxyphenyl-d5)methyl Ester; m-Methoxybenzyl 3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate; m-(Phenoxy-d5)benzyl 3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate; Acticin-d5; Adion-d5; Ambush-d5; FMC-33297-d5; NIA-33297-d5; Dichlorophenothrin-d5; Diffusil H-d5; Dragnet-d5; Dragnet FT-d5; Dragon-d5; Imperator-d5; Permanone-d5; Spartan-d5; Permethrin-d5 (cis/trans mixture)

登记号

• PubChem SID: 164232087
• PubChem CID: 71751437

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.6960993
• LogD (pH = 7.4): 5.6960993
• Log P: 5.6960993
• 摩尔折射率: 114.2824 cm^3
• 极化性: 40.723476 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - P288502

Labelled Permethrin (P288500). Synthetic pyrethroid insectide, more stable to light and at least as active as the natural pyrethrins and with low mammalian toxicity.

参考文献

• Elliott, M., et al.: Nature, 246, 169 (1973)