中文名 | 5-甲基-3-苯基异恶唑-4-羧酸乙酯 |
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英文名 | ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate |
中文别名 |
3-苯基-5-甲基-4-异恶唑甲酸乙酯
5-甲基-3-苯基异唑-4-羧酸乙酯 |
英文别名 |
5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
ETHYL5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXALATE ETHYL5-METHYL-3-PHENYL-4-ISOXAZOLEACRBOXALATE 5-methyl-3-phenylisoxazole-4-carboxylic acid ethyl ester ethyl 5-methyl-3-phenyl-isoxazole-4-carboxylate ETHYL 5-METHYL-3-PHENYL-4-ISOXAZOLE ACRBOXALATE 4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-PHENYL-, ETHYL ESTER Ethyl 5-methyl-3-phenylisoxazole-4-carboxylate 3-Phenyl-4-ethoxycarbonyl-5-methyl-isoxazol 5-Methyl-3-phenyl-isoxazol-4-carbonsaeure-aethylester 5-Methyl-3-phenyl-isoxazol-carbonsaeure-(4)-aethylester EINECS 214-541-7 |
密度 | 1.148 g/cm3 |
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沸点 | 372.9ºC at 760 mmHg |
分子式 | C13H13NO3 |
分子量 | 231.24700 |
闪点 | 179.3ºC |
精确质量 | 231.09000 |
PSA | 52.33000 |
LogP | 2.82670 |
蒸汽压 | 9.34E-06mmHg at 25°C |
折射率 | 1.532 |
计算化学 | 1.疏水参数计算参考值(XlogP):2.7 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:4 5.互变异构体数量:无 6.拓扑分子极性表面积52.3 7.重原子数量:17 8.表面电荷:0 9.复杂度:263 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 |
更多 | 1.形状:结晶 2.密度(g/cm3):1.148 3.沸点(760 mmHg,ºC):372.9 4.熔点(ºC):49 5.闪点(ºC):179.3 |
海关编码 | 2934999090 |
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~92% 1143-82-4 |
文献:Kurkowska, Joanna; Zadrozna, Irmina Journal of Chemical Research, Miniprint, 2003 , # 5 p. 541 - 554 |
~99% 1143-82-4 |
文献:Takikawa, Hiroshi; Takada, Akiomi; Hikita, Katsuyoshi; Suzuki, Keisuke Angewandte Chemie - International Edition, 2008 , vol. 47, # 39 p. 7446 - 7449 |
~% 1143-82-4 |
文献:US2010/48910 A1, ; Page/Page column 2 ; |
~95% 1143-82-4 |
文献:Benfatti, Fides; Cardillo, Giuliana; Contaldi, Simone; Gentilucci, Luca; Mosconi, Elisa; Tolomelli, Alessandra; Juaristi, Eusebio; Reyes-Rangel, Gloria Tetrahedron, 2009 , vol. 65, # 12 p. 2478 - 2483 |
~% 1143-82-4 |
文献:Kalin, Jay H.; Zhang, Hankun; Gaudrel-Grosay, Sophie; Vistoli, Giulio; Kozikowski, Alan P. ChemMedChem, 2012 , vol. 7, # 3 p. 425 - 439 |
~% 1143-82-4 |
文献:Bioorganic and Medicinal Chemistry Letters, , vol. 20, # 2 p. 726 - 729 |
~% 1143-82-4 |
文献:ChemMedChem, , vol. 7, # 3 p. 425 - 439 |
~% 1143-82-4 |
文献:Gazzetta Chimica Italiana, , vol. 76, p. 148,163 |
~% 1143-82-4 |
文献:Gazzetta Chimica Italiana, , vol. 76, p. 148,163 |
海关编码 | 2934999090 |
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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% |