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 基本信息
CAS号 2097-19-0 分子式 C12H17NO3Si
分子量 251.35400 精确质量  251.09800
PSA  30.93000 LogP  0.14940

基本信息 展开↓

CAS号:
2097-19-0
3D弹球模型:
立即前往扯扯看
分子式:
C12H17NO3Si
分子量:
251.35400
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
英文名称:
5-phenyl-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
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
精确分子量/精确质量:
251.09800
极性分子表面积/PSA:
30.93000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
218-263-7
InChI:
The Key: IJOIPPSHQCEBDH-UHFFFAOYSA-N

物化性质展开↓

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

安全信息展开↓

风险类别:
6.1(a)
海关代码:
2934999090

合成路线查看所有的合成路线

  • 780-69-8

    苯基三乙氧基硅烷

  • +

  • 283-56-7

    三乙醇胺硼酸酯

  • ~97%

  • 2097-19-0

    1-苯基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷

  • 3294-64-2

    tri-furan-2-yl-phenyl-silane

  • +

  • 102-71-6

    三乙醇胺

  • ~95%

  • 2097-19-0

    1-苯基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷

  • 102-71-6

    三乙醇胺

  • +

  • 2996-92-1

    苯基三甲氧基硅烷

  • ~90%

  • 2097-19-0

    1-苯基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷

化学图谱

  1. 苯基杀鼠硅质谱(MS)

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毒理性展开↓

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

海关数据查看详细

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展开↓

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

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