2496-91-5

• 常用中文名：乙拌磷氧磷,磺
• 常用英文名：disulfoton-oxon-sulfon
• CAS号：2496-91-5
• 分子式：C₈H₁₉O₅PS₂
• 分子量：290.33700
• 发布时间：2017-05-27 18:37:43
• 更新时间：2024-01-24 16:33:18

名称

• 中文名: 乙拌磷氧磷,磺
• 英文名: Demeton-S Sulfone
• 英文别名: 1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane

物化性质

• 密度: 1.248g/cm3
• 沸点: 416.3ºC at 760 mmHg
• 分子式: C₈H₁₉O₅PS₂
• 分子量: 290.33700
• 闪点: 205.6ºC
• 精确质量: 290.04100
• PSA: 113.16000
• LogP: 3.41620
• 蒸汽压: 9.32E-07mmHg at 25°C
• 折射率: 1.48
• 储存条件: -20°C， 惰性气体
• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：66.13

  2、 摩尔体积（cm³/mol）：232.4

  3、 等张比容（90.2K）：595.7

  4、 表面张力（dyne/cm）：43.1

  5、 介电常数（F/m）：

  6、 偶极距（D）：

  7、 极化率（10^-24cm³）：26.21

• 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103

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:312

  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:0

  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 : TF2976000 CHEMICAL NAME : Phosphorothioic acid, O,O-diethyl S-(2-(ethylsulfonyl)ethyl) ester CAS REGISTRY NUMBER : 2496-91-5 BEILSTEIN REFERENCE NO. : 1713526 LAST UPDATED : 199612 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C8-H19-O5-P-S2 MOLECULAR WEIGHT : 290.36 WISWESSER LINE NOTATION : WS2&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 : 1900 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 - rat DOSE/DURATION : 1800 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 : Unreported SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 30ZDA9 "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971 Volume(issue)/page/year: -,345,1971 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 5900 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 - guinea pig DOSE/DURATION : 8500 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
• 包装等级: I
• 危险类别: 6.1(a)

合成路线

2496-92-6 ~84% 2496-91-5

文献：Terreni, Marco; Pregnolato, Massimo; Resnati, Giuseppe; Benfenati, Emilio Tetrahedron, 1995 , vol. 51, # 29 p. 7981 - 7992

126-75-0 ~% 2496-91-5

文献：Farbenfabr.Bayer Patent: DE948241 , 1954 ; Full Text Show Details Fukuto et al. J.econ.Entomol., 1955 , vol. 48, p. 347,349

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