2496-92-6

• 常用中文名：disulfoton-oxon-sulfoxide
• 常用英文名：disulfoton-oxon-sulfoxide
• CAS号：2496-92-6
• 分子式：C₈H₁₉O₄PS₂
• 分子量：274.33800
• 发布时间：2016-01-30 04:24:22
• 更新时间：2024-01-22 18:33:35

名称

• 英文名: 1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane
• 英文别名: O,O-Diethyl S-ethyl-2-ethylmercaptophosphorothiolate sulfoxide; PO systox sulfoxide; Thiol-demeton-sulfoxid; Systox-thiol-sulfoxid; Thiol systox sulfoxide; Isodemeton-sulfoxide; Isosystox sulfoxide

物化性质

• 密度: 1.241g/cm3
• 沸点: 401.4ºC at 760mmHg
• 分子式: C₈H₁₉O₄PS₂
• 分子量: 274.33800
• 闪点: 196.6ºC
• 精确质量: 274.04600
• PSA: 106.92000
• LogP: 3.53500
• 蒸汽压: 2.74E-06mmHg at 25°C
• 折射率: 1.512
• 分子结构:

  1、 摩尔折射率：66.33

  2、 摩尔体积（cm³/mol）：220.9

  3、 等张比容（90.2K）：583.4

  4、 表面张力（dyne/cm）：48.6

  5、 介电常数（F/m）：

  6、 偶极距（D）：

  7、 极化率（10^-24cm³）：26.29

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:6

  4.可旋转化学键数量:9

  5.互变异构体数量:无

  6.拓扑分子极性表面积97.1

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:225

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:1

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : TF2850000 CHEMICAL NAME : Phosphorothioic acid, O,O-diethyl S-(2-(ethylsulfinyl)ethyl)ester CAS REGISTRY NUMBER : 2496-92-6 BEILSTEIN REFERENCE NO. : 1712527 LAST UPDATED : 199612 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C8-H19-O4-P-S2 MOLECULAR WEIGHT : 274.36 WISWESSER LINE NOTATION : OS2&2SPO&O2&O2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 234,352,1958 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1500 ug/kg TOXIC EFFECTS : Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase REFERENCE : AMIHAB AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60. For publisher information, see AEHLAU. Volume(issue)/page/year: 13,606,1956 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 5600 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PAREAQ Pharmacological Reviews. (Williams & Wilkins, 428 E. Preston St., Baltimore, MD 21202) V.1- 1949- Volume(issue)/page/year: 11,636,1959 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 5000 ug/kg TOXIC EFFECTS : Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase REFERENCE : AMIHAB AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60. For publisher information, see AEHLAU. Volume(issue)/page/year: 13,606,1956

安全

• 危险品运输编码: UN 3018
• 危险类别: 6.1(a)

合成路线

126-75-0 ~% 2496-92-6

文献：J.econ.Entomol., , vol. 48, p. 347,348 DE947368 , ;

298-04-4 ~% 2496-92-6

文献：DE1009621 , ;

58841-53-5 ~% 2496-92-6

文献：DE964045 , ;

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2496-91-5