diethyl {[(ethylsulfanyl)methyl]sulfanyl}(sulfanylidene)phosphonite

• ChemBase编号: 128942
• 分子式: C7H17O2PS3
• 平均质量: 260.377441
• 单一同位素质量: 260.01282941
• SMILES: S=P(OCC)(SCSCC)OCC
• Canonical SMILES: CCSCSP(=S)(OCC)OCC
• InChI: InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3
• InChIKey: BULVZWIRKLYCBC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: diethyl {[(ethylsulfanyl)methyl]sulfanyl}(sulfanylidene)phosphonite
• IUPAC传统名: rampart
• 别名: O,O-二乙基 S-(乙硫基甲基)二硫代磷酸酯; 甲拌磷; Phosphorodithioic acid, O,O-Diethyl S-[(Ethylthio)methyl] Ester; American Cyanamid 3911; ENT 24,042; Granutox; L 11/6; O,O-Diethyl S-Ethylmercaptomethyl Dithiophosphate; O,O-Diethyl S-Ethylthiomethyl Dithiophosphate; Phorate 10G; Thimet; Thimet 10G; Thimet G; Timet; VUAgT 182; suScon FuMing; Phorate, 85%; Thimet (trademark); Phorate; O,O-Diethyl S-(ethylthiomethyl) phosphorodithioate; Phorate

登记号

• CAS号: 298-02-2
• EC号: 206-052-2
• MDL号: MFCD00036348
• Beilstein号: 1708517
• PubChem SID: 24860196; 162223244; 24899261
• PubChem CID: 4790
• CHEBI ID: 38764
• CHEMBL: 510014
• Chemspider ID: 4626
• 维基百科标题: Phorate

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.1626496
• LogD (pH = 7.4): 3.1626496
• Log P: 3.1626496
• 摩尔折射率: 68.9502 cm^3
• 极化性: 27.863855 Å^3
• 极化表面积: 18.46 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

• 溶解度: Chloroform; Methanol
• 外观: Colourless to Pale Yellow Oil

安全信息

• 保存条件: -20°C Freezer
• RTECS编号: TD9450000
• 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: 26/27/28-50/53; 27/28-50/53
• 安全公开号: 28-36/37-45-60-61
• GHS危险品标识: GHS06; GHS09
• GHS警示词: Danger
• GHS危险声明: H300 +H310 + H330-H410; H300-H310-H410
• GHS警示性声明: P260-P264-P273-P280-P284-P301 + P310; 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 100 mg
• Empirical Formula (Hill Notation): C7H17O2PS3

详细说明

Sigma Aldrich - 33388

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

Toronto Research Chemicals - P353500

Phorate is a non-biocumulative organophosphate used as an insecticide and acaricide. Phorate is an inhibitor of acetylcholinesterase and pseudocholinesterase.

参考文献

• Pandey, G.C. et al.: Ind. J. Comp. Anim. Physiol., 6, 1 (1988)
• Henderson, M.C. et al.: Biochem. Pharmacol., 68, 959 (1988)
• Peter, J.V. et al.: NeuroToxicology, 29, 335 (1988)