O,S-二乙基甲基硫代磷酸

密度：

1.081g/cm3

沸点：

208ºC at 760mmHg

闪点：

79.6ºC

折射率：

1.45

蒸汽压：

0.315mmHg at 25°C

包装等级：

II

风险类别：

6.1

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

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；

分子结构数据

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

计算化学数据

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