2097-19-0

• 常用中文名：1-苯基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷
• 常用英文名：PHENYLSILATRANE
• CAS号：2097-19-0
• 分子式：C₁₂H₁₇NO₃Si
• 分子量：251.35400
• 发布时间：2018-12-02 10:30:21
• 更新时间：2026-09-20 23:58:10

名称

• 中文名: 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: 5-phenyl-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
• 英文别名: 1-Fenylosilatranu; EINECS 218-263-7; 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-phenyl; Silatrane, phenyl; 5-Phenyl-1-aza-4,6,11-trioxa-5-silabicyclo[3.3.3]undecane; 1-Phenyl-1-sila-5-aza-2,8,9-trioxabicyclo[3.3.3]undecane; phenyl-silatran; 9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane,1-phenyl-8; 8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane,1-phenyl-2; Fenylsilatran; phenyl-2,8,9-trioxa-5-aza-1-silabicyclo(3,3,3)undecane; 5-phenyl-silitrane; 1-Phenyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane; fenylsilatran(czech); 1-Phenyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane; 1-Phenyl-1-sila-2,8,9-trioxa-5-azabicyclo[3.3.3]undecane; 9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane,phenyl-8; Silatrane,phenyl; 9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane,1-phenyl-8; 1-Phenylsilatrane

物化性质

• 密度: 1.18g/cm3
• 沸点: 284.1ºC at 760mmHg
• 分子式: C₁₂H₁₇NO₃Si
• 分子量: 251.35400
• 闪点: 125.6ºC
• 精确质量: 251.09800
• PSA: 30.93000
• LogP: 0.14940
• 蒸汽压: 0.00305mmHg at 25°C
• 折射率: 1.557
• 计算化学:

  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

毒性和生态

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

安全

• 危险品运输编码: UN 2811
• 危险类别: 6.1(a)
• 海关编码: 2934999090

合成路线

海关

海关编码	2934999090
中文概述	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
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%