{ethoxy[3-methyl-4-(methylsulfanyl)phenoxy]phosphoryl}(propan-2-yl)amine

• ChemBase编号: 127396
• 分子式: C13H22NO3PS
• 平均质量: 303.357441
• 单一同位素质量: 303.1058012
• SMILES: O=P(OCC)(Oc1ccc(SC)c(c1)C)NC(C)C
• Canonical SMILES: CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C
• InChI: InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)
• InChIKey: ZCJPOPBZHLUFHF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {ethoxy[3-methyl-4-(methylsulfanyl)phenoxy]phosphoryl}(propan-2-yl)amine
• IUPAC系统名: {Ethoxy[3-methyl-4-(methylsulfanyl)phenoxy]phosphoryl}(propan-2-yl)amine
• IUPAC传统名: fenamiphos
• 别名: 苯线磷; 灭线灵; N-(1-Methylethyl)phosphoramidic Acid Ethyl 3-Methyl-4-(methylthio)phenyl Ester; Isopropylphosphoramidic Acid Ethyl 4-(Methylthio)-m-tolyl Ester; B 68138; BAY 68138; Bayer 68138; Ethyl 3-Methyl-4-(methylthio)phenyl (1-Methylethyl)phosphoramidate; Ethyl 4-(Methylthio)-m-tolyl Isopropylphosphoramidate; Fenamifos; Fenamithion; Nemacur; Nemacur P; Fenamiphos 90%; Phenamiphos; Fenamiphos; Fenamiphos

登记号

• CAS号: 22224-92-6
• EC号: 244-848-1
• MDL号: MFCD00055454
• Beilstein号: 4752893
• PubChem SID: 162221717; 24868978; 24899256
• PubChem CID: 31070; 38988461
• CHEBI ID: 38680
• CHEMBL: 450410
• Chemspider ID: 28827
• KEGG ID: C18659
• 医学主题词(MeSH): Fenamiphos
• 维基百科标题: Fenamiphos

理论计算性质

• Acid pKa: 10.538661
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 3.314402
• LogD (pH = 7.4): 3.3141263
• Log P: 3.3144057
• 摩尔折射率: 81.5423 cm^3
• 极化性: 31.972235 Å^3
• 极化表面积: 47.56 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform
• 外观: Yellow Solid
• 熔点: 36-39°C
• 闪点: 100 °C; 212 °F

安全信息

• 保存条件: -20°C Freezer
• RTECS编号: TB3675000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 2783, 2811; 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: 24-28-50/53
• 安全公开号: 23-28-36/37-45-60-61
• GHS危险品标识: GHS06; GHS09
• GHS警示词: Danger
• 主要危害: Toxic
• GHS危险声明: H300-H311-H410
• GHS警示性声明: P264-P273-P280-P301 + P310-P312-P501
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2
• 保存温度: 2-8°C

产品相关信息

• 级别: analytical standard; PESTANAL®, analytical standard
• 包装: ampule of 250 mg
• Empirical Formula (Hill Notation): C13H22NO3PS

详细说明

Sigma Aldrich - 45483

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

Toronto Research Chemicals - F245700

Systemic broad spectrum nematocide with anticholinesterase activity. Nematocide.

参考文献

• Brown, M.J., et al.: J. Agric. Food Chem., 29, 1129 (1981)
• Read, D.C., et al.: J. Econ. Entomol., 69, 429 (1981)