1-苯基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷
- 中文名称：
- 1-苯基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷
- 中文别名：
- 1-苯基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷;
1-苯基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷 苯基毒鼠硅 苯基杂氮硅三环
- 英文名称：
- 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane,1-phenyl-
- 英文别名：
- 5-phenyl-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane;
1-Phenylsilatrane;
EINECS 218-263-7;
5-phenyl-silitrane;
Silatrane,phenyl;
PHENYLSILATRANE
- CAS No.：
- 2097-19-0
- 分 子 式：
-
C12H17NO3Si
- 分 子 量：
- 251.35
- 精确分子量：
- 251.09800
- PSA：
- 30.93000
- EINECS：
- 218-263-7
- InChI：
- The Key: IJOIPPSHQCEBDH-UHFFFAOYSA-N3
- 分子结构式：
-
- SDS：
- 查看
1-苯基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷 物化性质
- 密度：
- 1.18g/cm3
- 沸点：
- 284.1ºC at 760mmHg
- 闪点：
- 125.6ºC
- 折射率：
- 1.557
- 蒸汽压：
- 0.00305mmHg at 25°C
1-苯基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷 安全信息
- 风险类别：
- 6.1(a)
- 海关代码：
- 2934999090
1-苯基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- YJ9050000
- CHEMICAL NAME :
- 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane,
1-phenyl-
- CAS REGISTRY NUMBER :
- 2097-19-0
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C12-H17-N-O3-Si
- MOLECULAR WEIGHT :
- 251.39
- WISWESSER LINE NOTATION :
- T88 A B C AO DN GO-SI-OTJ HR
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 :
- 1480 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1237,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1400 ug/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 :
- 330 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- RCRVAB Russian Chemical Reviws (English Translation). Translation of
USKHAB. (Royal Soc. of Chemistry, Distribution Centre, Blackhorse Rd.,
Letchworth, Herts SG6 1HN, UK) V.29- 1960- Volume(issue)/page/year:
38,975,1969
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Gastrointestinal - changes in structure or function of salivary glands
Lungs, Thorax, or Respiration - cyanosis
- REFERENCE :
- EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique.
(Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France)
V.9- 1974- Volume(issue)/page/year: 13,207,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intracerebral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 750 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: 38,1734,1990
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 300 ug/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- PACHAS Pure and Applied Chemistry. (Pergamon Press Ltd., Headington Hill
Hall, Oxford OX3 0BW, UK) V.1- 1960- Volume(issue)/page/year: 13,35,1966
1-苯基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷 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%
1-苯基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷 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:1
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:17
8.表面电荷:0
9.复杂度:232
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
1-苯基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷 上游产品
1-苯基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷 下游产品
1-苯基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷 表征图谱
