2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane,1-methyl-
- 中文别名:1-甲基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷
- 中文释义:1-甲基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷;3,3-Diphenylpropionitrile;3,3-Diphenyl-propionitrile;Benzenepropanenitrile, .beta.-phenyl-;Benzenepropanenitrile, beta-phenyl-;Propionitrile, 3,3-diphenyl-;3,3-diphenylpropanenitrile;3,3-Diphenylpropiononitrile;Di
- 英文别名:5-methyl-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane;
1-Methyl-2,8,9-trioxo-5-aza-1-silabicyclo(3.3.3)undecane;
(TB-5-23)-(2,2',2''-azanetriyl-tris-ethanolato(3-)-N,O,O',O'')-methyl-silicon;
Methylsilatran [German];
2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane,1-methyl;
1-Methylsilatrane;
Methylsilatran;
Methylsilatrane;
1-Methyl-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane;
5-methyl-silitrane;
EINECS 218-928-1
- CAS No.:2288-13-3
- 分子式:C7H15NO3Si
- 分子量:189.28
- 精确分子量:189.08200
- PSA:30.93000
- InChI:InChI=1/C7H15NO3Si/c1-12-8(2-5-9-12,3-6-10-12)4-7-11-12/h2-7H2,1H3
- 分子结构式:
物化性质
- 外观与性状:
- 白色粉末
- 密度:
- 1.12 g/cm3
- 熔点:
- 152ºC
- 沸点:
- 228.1ºC at 760 mmHg
- 闪点:
- 91.7ºC
安全信息
- 外观与性状:
- 白色粉末
- 密度:
- 1.12 g/cm3
- 熔点:
- 152ºC
- 沸点:
- 228.1ºC at 760 mmHg
- 闪点:
- 91.7ºC
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- YJ9035500
- CHEMICAL NAME :
- 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-methyl-
- CAS REGISTRY NUMBER :
- 2288-13-3
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C7-H15-N-O3-Si
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1800 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 26,224,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 840 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 26,224,1970
海关数据
中国海关编码:2934999090
- 概述:
- 2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
- 申报要素:
- 品名, 成分含量, 用途
- 摘要/Summary:
- 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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:4
4.可旋转化学键数量:0
5.互变异构体数量:无
6.拓扑分子极性表面积:30.9
7.重原子数量:12
8.表面电荷:0
9.复杂度:140
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