2511-10-6

• 常用中文名：O,S-二乙基甲基硫代磷酸
• 常用英文名：O,S-DIETHYL METHYLPHOSPHONOTHIOATE
• CAS号：2511-10-6
• 分子式：C₅H₁₃O₂PS
• 分子量：168.19400
• 发布时间：2018-04-17 08:00:00
• 更新时间：2024-01-11 13:39:26

名称

• 中文名: O,S-二乙基甲基硫代磷酸
• 英文名: 1-[ethylsulfanyl(methyl)phosphoryl]oxyethane
• 中文别名: 甲基硫代磷酸 O,S-二乙酯
• 英文别名: O,S-Diethyl methylthiophosphonate; methyl-thiophosphonic acid O,S-diethyl ester; OSDMP; Phosphonothioic acid,methyl-,O,S-diethyl ester; O-Ethyl-S-ethylmethylphosphonothiolate; Methylphosphonothioic acid O,S-diethyl ester; MFCD01705977; O,S-Diethyl methyl phosphonothioate; O,S-diethyl methylphosphonate; O,S-diethyl methylphosphonothionate; LG 61

物化性质

• 密度: 1.081g/cm3
• 沸点: 208ºC at 760mmHg
• 分子式: C₅H₁₃O₂PS
• 分子量: 168.19400
• 闪点: 79.6ºC
• 精确质量: 168.03700
• PSA: 61.41000
• LogP: 2.59890
• 蒸汽压: 0.315mmHg at 25°C
• 折射率: 1.45
• 分子结构:

  1、摩尔折射率：41.82

  2、摩尔体积（cm³/mol）：155.5

  3、等张比容（90.2K）：373.5

  4、表面张力（dyne/cm）：33.2

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：16.58

  7、单一同位素质量：168.037386Da

  8、标称质量：168Da

  9、平均质量：168.1943Da

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：0.8

  2、 氢键供体数量：0

  3、 氢键受体数量：2

  4、 可旋转化学键数量：4

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：26.3

  7、 重原子数量：9

  8、 表面电荷：0

  9、 复杂度：116

  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

毒理学数据: 1、急性毒性：大鼠经口LD50：6mg/kg；小鼠静脉LD50：1mg/kg；狗静脉LD50：5620ug/kg；兔子，皮肤接触LD50：>24mg/kg；兔子静脉LD50：2480ug/kg； CHEMICAL IDENTIFICATION RTECS NUMBER : TB1085000 CHEMICAL NAME : Phosphonothioic acid, methyl-, O,S-diethyl ester CAS REGISTRY NUMBER : 2511-10-6 BEILSTEIN REFERENCE NO. : 1753418 LAST UPDATED : 199706 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C5-H13-O2-P-S MOLECULAR WEIGHT : 168.21 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 : 6 mg/kg TOXIC EFFECTS : Behavioral - tetany Lungs, Thorax, or Respiration - dyspnea Kidney, Ureter, Bladder - urine volume increased REFERENCE : JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 32,774,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IAEC** Interagency Collaborative Group on Environmental Carcinogenesis, National Cancer Institute, Memorandum, June 17, 1974 Volume(issue)/page/year: 17JUN1974 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 5620 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IAEC** Interagency Collaborative Group on Environmental Carcinogenesis, National Cancer Institute, Memorandum, June 17, 1974 Volume(issue)/page/year: 17JUN1974 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >24 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IAEC** Interagency Collaborative Group on Environmental Carcinogenesis, National Cancer Institute, Memorandum, June 17, 1974 Volume(issue)/page/year: 17JUN1974 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 2480 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IAEC** Interagency Collaborative Group on Environmental Carcinogenesis, National Cancer Institute, Memorandum, June 17, 1974 Volume(issue)/page/year: 17JUN1974

安全

• 危险品运输编码: UN3278
• 包装等级: II
• 危险类别: 6.1

合成路线

22307-81-9 75-03-6 ~89% 2511-10-6

文献：Singh, Ravindra; Gutch; Acharya; Prabha Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2011 , vol. 50, # 10 p. 1504 - 1509

5284-09-3 75-08-1 ~% 2511-10-6

文献：Cadogan,J.I.G. Journal of the Chemical Society, 1961 , p. 3067 - 3070

6996-81-2 ~% 2511-10-6

文献：Kabatschnik et al. Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1956 , p. 193,197;engl.Ausg.S.185,188

110-81-6 16391-07-4 ~% 2511-10-6

文献：Petrov,K.A. et al. J. Gen. Chem. USSR (Engl. Transl.), 1961 , vol. 31, p. 176 - 179,164 - 167

18005-40-8 21504-43-8 ~% 2511-10-6

文献：LeGras,P.G. et al. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1973 , p. 2064 - 2071

74-96-4 ~% 2511-10-6

文献：Kabatschnik et al. Zhurnal Obshchei Khimii, 1956 , vol. 26, p. 2228,2231; engl.Ausg.S.2491,2494

5284-09-3 811-51-8 ~% 2511-10-6

文献：Kabatschnik et al. Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1956 , p. 193,197;engl.Ausg.S.185,188

74-96-4 18005-40-8 ~% 2511-10-6

文献：Petrov,K.A. et al. J. Gen. Chem. USSR (Engl. Transl.), 1961 , vol. 31, p. 179 - 184,168 - 171

1496-75-9 16391-07-4 ~% 2511-10-6

文献：Petrov,K.A. et al. J. Gen. Chem. USSR (Engl. Transl.), 1961 , vol. 31, p. 1361 - 1366,1260 - 1264

上下游产品

上游产品  10
22307-81-9 75-03-6 5284-09-3 75-08-1
6996-81-2 110-81-6 16391-07-4 18005-40-8
21504-43-8 74-96-4
下游产品  5
75-08-1 110-81-6 10047-83-3 114380-26-6
1498-51-7