diethyl {[diethoxy(sulfanylidene)-λ5-phosphanyl]oxy}(sulfanylidene)phosphonite

• ChemBase编号: 130286
• 分子式: C8H20O5P2S2
• 平均质量: 322.318922
• 单一同位素质量: 322.022739
• SMILES: CCOP(=S)(OCC)OP(=S)(OCC)OCC
• Canonical SMILES: CCOP(=S)(OP(=S)(OCC)OCC)OCC
• InChI: InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3
• InChIKey: XIUROWKZWPIAIB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: diethyl {[diethoxy(sulfanylidene)-λ^5-phosphanyl]oxy}(sulfanylidene)phosphonite; diethoxy(sulfanylidene)-λ^5-phosphanyl ethyl ethoxy(sulfanylidene)phosphonite
• IUPAC传统名: diethyl [diethoxy(sulfanylidene)-λ^5-phosphanyl]oxy(sulfanylidene)phosphonite; diethoxy(sulfanylidene)-λ^5-phosphanyl ethyl ethoxy(sulfanylidene)phosphonite; dithione
• 别名: 二硫代焦磷酸 O,O,O′,O′-四乙酯; 治螟磷; Thiodiphosphoric Acid ([(HO)2P(S)]2O) OP,OP,OP',OP'-Tetraethyl Ester; Thiodiphosphoric acid ([(HO)2P(S)]2O) Tetraethyl Ester; ASP 47; Bladafum; Dithiofos; Dithion; Dithione; Dithiophos; E 393; Sulfotepp; Ethyl Thiopyrophosphate ([(EtO)2PS]2O); Fulex; NSC 66403; O,O,O,O-Tetraethyl Dithiopyrophosphate; O,O,O',O'-Tetraethyl Dithiopyrophosphate; Plantfume 103; TEDTP; Thiotepp; Sulfotep; Dithiophop; Dithiop; Bladafup; Dithiofop; Dithionp; Dithiotep; Pirofop; TEDP; Sulfotep; O,O,O′,O′-Tetraethyl dithiopyrophosphate; Sulfotep

登记号

• CAS号: 3689-24-5
• EC号: 222-995-2
• MDL号: MFCD00026764
• Beilstein号: 1714019
• PubChem SID: 162224565; 24869213; 24899135
• PubChem CID: 19395
• 美国药典/FDA物质标识码: V41BK2EE8X
• 维基百科标题: Sulfotep

理论计算性质

• 极化性: 32.35956 Å^3
• 极化表面积: 46.15 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.2769115
• LogD (pH = 7.4): 3.2769115
• Log P: 3.2769115
• 摩尔折射率: 78.4302 cm^3

分子性质

理化性质

• 溶解度: 30 mg/l in water
• 外观: liquid
• 熔点: not available
• 沸点: 136-139°C @ 2 mm Hg
• 闪点: -18 °C
• 自燃点: not available
• 密度: 1.196 kg/cm3

安全信息

• RTECS编号: XN4375000
• 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: 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): 1
• 危险公开号: 27/28-50/53
• 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
• NFPA704:
  

  1

  4

  0
• GHS危险声明: H300-H310-H410
• GHS警示性声明: P264-P273-P280-P301 + P310-P302 + P350-P310
• 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 1
• 保存温度: 2-8°C

产品相关信息

• 级别: analytical standard; PESTANAL®, analytical standard
• 包装: ampule of 50 mg
• Empirical Formula (Hill Notation): C8H20O5P2S2

详细说明

Sigma Aldrich - 45664

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

Toronto Research Chemicals - S689085

An organophosphate pesticide that is an inhibitor of acetylcholinesterase (AChE).

参考文献

• Yan, D. et al.: Zhong. Huan. Kex., 26, 364 (2006)
• Wood, S.J. et al.: Pest. Sci., 32, 485 (2006)