CAS号:108614-27-3
- 中文名称:
- CAS号:108614-27-3
- 中文别名:
- CAS号:108614-27-3;
2-吡啶胺,N-羟基-3-硝基-
- 英文名称:
- 2,6,7-Trioxabicyclo[2.2.2]octane,4-butyl-1-(4-ethynylphenyl)-
- 英文别名:
- 1-butyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane;
2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-ethynylphenyl)-
- CAS No.:
- 108614-27-3
- 分 子 式:
-
C17H20O3
- 分 子 量:
- 0
- 精确分子量:
- 272.14100
- PSA:
- 27.69000
- 分子结构式:
-

- SDS:
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CAS号:108614-27-3 物化性质
- 密度:
- 1.15g/cm3
- 沸点:
- 354.1ºC at 760mmHg
- 闪点:
- 119.3ºC
- 折射率:
- 1.56
- 蒸汽压:
- 6.97E-05mmHg at 25°C
CAS号:108614-27-3 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- YJ9268500
- CHEMICAL NAME :
- 2,6,7-Trioxabicyclo(2.2.2)octane,
4-butyl-1-(4-ethynylphenyl)-
- CAS REGISTRY NUMBER :
- 108614-27-3
- LAST UPDATED :
- 199309
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C17-H20-O3
- MOLECULAR WEIGHT :
- 272.37
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 :
- 1100 ug/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: 39,1329,1991
CAS号:108614-27-3 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):3.2
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:5
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:20
8.表面电荷:0
9.复杂度:362
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