2,6,7-Trioxabicyclo[2.2.2]octane,4-cyclohexyl-1-[4-[2-(trimethylsilyl)ethynyl]phenyl]-
- 中文别名：4-[(5-氯-4-甲基-2-磺酸根苯基)偶氮]-3-羟基-2-萘酸镁
- 中文释义：4-[(5-氯-4-甲基-2-磺酸根苯基)偶氮]-3-羟基-2-萘酸镁
- 英文别名：2-[4-(1-cyclohexyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)phenyl]ethynyl-trimethylsilane;
((4-(4-Cyclohexyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethylsilane;
2,6,7-Trioxabicyclo[2.2.2]octane,4-cyclohexyl-1-[4-[2-(trimethylsilyl)ethynyl]phenyl];
Silane,((4-(4-cyclohexyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl;
4-Cyclohexyl-1-(4-((trimethylsilyl)ethynyl)phenyl)-2,6,7-trioxabicyclo(2.2.2)octane
- CAS No.：108614-08-0
- 分子式：C22H30O3Si
- 分子量：0
- 精确分子量：370.19600
- PSA：27.69000
- 分子结构式：
物化性质
- 密度：
- 1.11g/cm3
- 沸点：
- 427.4ºC at 760mmHg
- 闪点：
- 170.2ºC
- 折射率：
- 1.552
- 蒸汽压：
- 4.09E-07mmHg at 25°C
安全信息
- 密度：
- 1.11g/cm3
- 沸点：
- 427.4ºC at 760mmHg
- 闪点：
- 170.2ºC
- 折射率：
- 1.552
- 蒸汽压：
- 4.09E-07mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- VV2900000
- CHEMICAL NAME :
- Silane, ((4-(4-cyclohexyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl) phenyl)ethynyl)trimet hyl-
- CAS REGISTRY NUMBER :
- 108614-08-0
- LAST UPDATED :
- 199409
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C22-H30-O3-Si
- MOLECULAR WEIGHT :
- 370.61
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 125 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- 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: 39,1335,1991
分子结构与计算化学数据
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:3
4.可旋转化学键数量:4
5.互变异构体数量:无
6.拓扑分子极性表面积:27.7
7.重原子数量:26
8.表面电荷:0
9.复杂度:543
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
