砜吸磷
- 中文名称：
- 砜吸磷
- 中文别名：
- 氧乙拌磷亚砜;
O,O-二乙基-S-[2-(乙基亚硫酰基)乙基]硫代磷酸酯
- 英文名称：
- Phosphorothioic acid,O,O-diethyl S-[2-(ethylsulfinyl)ethyl] ester
- 英文别名：
- 1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane;
Thiol systox sulfoxide;
O,O-Diethyl S-ethyl-2-ethylmercaptophosphorothiolate sulfoxide;
Isodemeton-sulfoxide;
Isosystox sulfoxide;
Thiol-demeton-sulfoxid;
Systox-thiol-sulfoxid;
PO systox sulfoxide
- CAS No.：
- 2496-92-6
- 分 子 式：
-
C8H19O4PS2
- 分 子 量：
- 274.36
- 精确分子量：
- 274.04600
- PSA：
- 106.92000
- InChI：
- The Key: RWRHZQVSYSDUSM-UHFFFAOYSA-N3
- 安全术语：
- A poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of POx and SOx.
- 分子结构式：
-
- SDS：
- 查看
砜吸磷 物化性质
- 密度：
- 1.241g/cm3
- 沸点：
- 401.4ºC at 760mmHg
- 闪点：
- 196.6ºC
- 折射率：
- 1.512
- 蒸汽压：
- 2.74E-06mmHg at 25°C
砜吸磷 毒理性
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
砜吸磷 分子结构与计算化学数据
分子结构数据
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
