N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide

• ChemBase编号: 125591
• 分子式: C10H11ClN4
• 平均质量: 222.67414
• 单一同位素质量: 222.06722405
• SMILES: Clc1ncc(cc1)CN(/C(=N/C#N)/C)C
• Canonical SMILES: N#C/N=C(/N(Cc1ccc(nc1)Cl)C)\C
• InChI: InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3
• InChIKey: WCXDHFDTOYPNIE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide; (E)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethenimidamide
• IUPAC传统名: acetamiprid
• 别名: (E)-N-[(6-氯-3-吡啶基)甲基]-N′-氰基-N-甲基乙脒; 啶虫脒; (1E)-N-[(6-Chlor-3-pyridinyl)methyl]-N'-cyan-N-methylethanimidamid;; Acetamiprid; (1E)-N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide; ADA 06200; Assail; Intruder; Mospilan; NFK 17; NI 25; Piorun; Pristine; Prize; Stonkat; TD 2472; TD 2472-01; TD 2480; (E)-N-(6-Chloro-3-pyridylmethyl)-N′-cyano-N-methylacetamidine; Acetamiprid

登记号

• CAS号: 135410-20-7
• MDL号: MFCD06201842
• PubChem SID: 162219941
• PubChem CID: 213021
• CHEBI ID: 39164
• CHEMBL: 265941
• Chemspider ID: 184719
• KEGG ID: C18507
• 医学主题词(MeSH): acetamiprid
• 维基百科标题: Acetamiprid

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.094792
• LogD (pH = 7.4): 1.1140888
• Log P: 1.1143404
• 摩尔折射率: 60.8918 cm^3
• 极化性: 22.29389 Å^3
• 极化表面积: 52.28 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; DMSO; Methanol
• 外观: Pale Yellow Solid; white powder
• 熔点: 100-102 °C; 96-98°C; 98.9°C
• 闪点: 166.9 °C
• 密度: 1.17 g/cm^3

安全信息

• 保存条件: Refrigerator, Under Inert Atmosphere
• RTECS编号: KJ4235200
• 欧盟危险性物质标志: 有毒(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: 23/25-57
• 安全公开号: 45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H330
• GHS警示性声明: P260-P284-P301 + P310-P310
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

产品相关信息

• 级别: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C10H11ClN4

详细说明

Sigma Aldrich - 33674

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

Toronto Research Chemicals - A150800

A novel neonicotinid insecticide against Holotrichia consanguinea in sugarcane. Reports show that when exposed to neonicotinid pesticides honeybees have probelms returnign home after foraging and bumblebee colonies grow poorly and produce fewer queens.

参考文献

• Srivastava, A., et al.: Indian Sugar, 32, 673 (1983)
• Fleming, R., et al.: J. Econ. Entomol., 78, 1179 (1983)
• Rao, Ch.V., et al.: Pestology, 35, 47 (1983)
• Chem. and Eng. News 90: 10 (2012)