乙拌磷氧磷,磺
- 中文名称：
- 乙拌磷氧磷,磺
- 中文别名：
- 乙拌磷氧磷,磺;
O,O-二乙基-S-[2-(乙基磺酰基)乙基]硫代磷酸酯
- 英文名称：
- Phosphorothioic acid,O,O-diethyl S-[2-(ethylsulfonyl)ethyl] ester
- 英文别名：
- Demeton-S Sulfone;
1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane
- CAS No.：
- 2496-91-5
- 分 子 式：
-
C8H19O5PS2
- 分 子 量：
- 0
- 精确分子量：
- 290.04100
- PSA：
- 113.16000
- InChI：
- The Key: VMXCTQSDRPKAOC-UHFFFAOYSA-N3
- 安全术语：
| RIDADR | 3018 |
| HazardClass | 6.1(a) |
| PackingGroup | I |
- 分子结构式：
-
- SDS：
- 查看
乙拌磷氧磷,磺 物化性质
- 密度：
- 1.248g/cm3
- 沸点：
- 416.3ºC at 760 mmHg
- 闪点：
- 205.6ºC
- 折射率：
- 1.48
- 蒸汽压：
- 9.32E-07mmHg at 25°C
乙拌磷氧磷,磺 毒理性
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
乙拌磷氧磷,磺 分子结构与计算化学数据
分子结构数据
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
计算化学数据
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
