dimethyl [(2-{[1-(methylcarbamoyl)ethyl]sulfanyl}ethyl)sulfanyl]phosphonate

• ChemBase编号: 157210
• 分子式: C8H18NO4PS2
• 平均质量: 287.336581
• 单一同位素质量: 287.04148669
• SMILES: CC(C(=O)NC)SCCSP(=O)(OC)OC
• Canonical SMILES: CNC(=O)C(SCCSP(=O)(OC)OC)C
• InChI: InChI=1S/C8H18NO4PS2/c1-7(8(10)9-2)15-5-6-16-14(11,12-3)13-4/h7H,5-6H2,1-4H3,(H,9,10)
• InChIKey: LESVOLZBIFDZGS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl [(2-{[1-(methylcarbamoyl)ethyl]sulfanyl}ethyl)sulfanyl]phosphonate
• IUPAC传统名: vamidothion
• 别名: O,O-二甲基-S-[2-(1-甲基-2-甲胺基-2-氧代乙硫)乙基]硫代磷酸酯; 蚜灭磷 溶液; O,O-Dimethyl S-[2-(1-methyl-2-methylamino-2-oxoethylthio)ethyl] phosphorothioate; Vamidothion solution; Phosphorothioic Acid O,O-Dimethyl S-[2-[[1-Methyl-2-(methylamino)-2-oxoethyl]thio]ethyl] Ester; Bamidothion; Dimethyl S-[2-(1-Methylcarbamoyl-ethylthio)ethyl] Phosphorothiolate; Kilval; O,O-Dimethyl S-[2-(1-Methylcarbamoylethylthio)ethyl] Phosphorothioate; RP 9895; Vamidoate; XMC; Vamidothion

登记号

• CAS号: 2275-23-2
• EC号: 200-835-2
• MDL号: MFCD00055442
• PubChem SID: 162251347
• PubChem CID: 560193

理论计算性质

• Acid pKa: 15.612372
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.32453722
• LogD (pH = 7.4): 0.32453722
• Log P: 0.32453722
• 摩尔折射率: 69.279 cm^3
• 极化性: 27.64589 Å^3
• 极化表面积: 64.63 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: 2 °C; 35.6 °F

安全信息

• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1648
• 德国WGK号: 2
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 11-20/21/22-36
• 安全公开号: 16-36/37
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Danger
• GHS危险声明: H225-H302-H312-H319-H332
• GHS警示性声明: P210-P280-P305 + P351 + P338
• 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 1648 3/PG 2
• 保存温度: 2-8°C

产品相关信息

• 浓度: 100 ng/μL in acetonitrile
• 级别: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C8H18NO4PS2

详细说明

Sigma Aldrich - 32931

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

Toronto Research Chemicals - V756480

Vamidothion is a phosphorothioic insecticide for apples and potatoes.

参考文献

• Erney, D., et al.: J. High Resolut. Chromatogr., 18, 59 (1998)
• Ragnarsdottir, K., et al.: Geol. Soc., 157, 859 (1998)
• Salas, J., et al.: J. Agric. Food Chem., 51, 4468 (1998)