5-溴-1H-苯并咪唑结构式
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常用名 | 5-溴-1H-苯并咪唑 | 英文名 | 5-Bromo-1H-benzo[d]imidazole |
|---|---|---|---|---|
| CAS号 | 4887-88-1 | 分子量 | 197.032 | |
| 密度 | 1.8±0.1 g/cm3 | 沸点 | 417.4±18.0 °C at 760 mmHg | |
| 分子式 | C7H5BrN2 | 熔点 | 130-131ºC | |
| MSDS | 中文版 美版 | 闪点 | 206.2±21.2 °C | |
| 符号 |
GHS07 |
信号词 | Warning |
| 中文名 | 5-溴-1H-苯并咪唑 |
|---|---|
| 英文名 | 5-Bromo-1H-benzimidazole |
| 中文别名 | 5-溴-1H-苯并[D]咪唑 | 6-溴-1H-苯并[d]咪唑 | 1H-苯并咪唑,6-溴 | 6-溴-1H-苯并咪唑 |
| 英文别名 | 更多 |
| 密度 | 1.8±0.1 g/cm3 |
|---|---|
| 沸点 | 417.4±18.0 °C at 760 mmHg |
| 熔点 | 130-131ºC |
| 分子式 | C7H5BrN2 |
| 分子量 | 197.032 |
| 闪点 | 206.2±21.2 °C |
| 精确质量 | 195.963608 |
| PSA | 28.68000 |
| LogP | 2.31 |
| 外观性状 | 固体;White to Yellow to Orange powder to crystal |
| 蒸汽压 | 0.0±0.9 mmHg at 25°C |
| 折射率 | 1.728 |
| 储存条件 | 室温 |
| 水溶解性 | 可溶于:甲醇 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:1 3.氢键受体数量:1 4.可旋转化学键数量:0 5.互变异构体数量:2 6.拓扑分子极性表面积:28.7 7.重原子数量:10 8.表面电荷:0 9.复杂度:129 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 |
| 符号 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H302 |
| 警示性声明 | P301 + P312 + P330 |
| 个人防护装备 | dust mask type N95 (US);Eyeshields;Gloves |
| 危害码 (欧洲) | Xn: Harmful; |
| 风险声明 (欧洲) | R20/21/22;R36/37/38 |
| 安全声明 (欧洲) | 22-26-36/37/39 |
| 危险品运输编码 | NONH for all modes of transport |
| 海关编码 | 2933990090 |
|
~98%
5-溴-1H-苯并咪唑 4887-88-1 |
| 文献:Curis, Inc.; Bao, Rudi; Lai, Chengjung; Qian, Changgeng Patent: US2013/102595 A1, 2013 ; Location in patent: Paragraph 0580; 0581 ; |
|
~65%
5-溴-1H-苯并咪唑 4887-88-1 |
| 文献:Pu, Shuai; Liang, Qiuxiang; Luo, Xi; Luo, Juan Journal of Chemical Research, 2014 , vol. 38, # 2 p. 118 - 120 |
|
~99%
5-溴-1H-苯并咪唑 4887-88-1 |
| 文献:F. HOFFMANN-LA ROCHE AG; ALIAGAS-MARTIN, Ignacio; CRAWFORD, James; LEE, Wendy; MATHIEU, Simon; RUDOLPH, Joachim Patent: WO2013/26914 A1, 2013 ; Location in patent: Page/Page column 131 ; WO 2013/026914 A1 |
|
~77%
5-溴-1H-苯并咪唑 4887-88-1 |
| 文献:Das, Biswanath; Venkateswarlu, Katta; Krishnaiah, Maddeboina; Holla, Harish Tetrahedron Letters, 2006 , vol. 47, # 49 p. 8693 - 8697 |
|
~79%
5-溴-1H-苯并咪唑 4887-88-1 |
| 文献:Young, Jonathan R.; Huang, Song X.; Walsh, Thomas F.; Wyvratt Jr., Matthew J.; Yang, Yi Tien; Yudkovitz, Joel B.; Cui, Jisong; Mount, George R.; Ren, Rena Ning; Wu, Tsuei-Ju; Shen, Xiaolan; Lyons, Kathryn A.; Mao, An-Hua; Carlin, Josephine R.; Karanam, Bindhu V.; Vincent, Stella H.; Cheng, Kang; Goulet, Mark T. Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 5 p. 827 - 832 |
|
~91%
5-溴-1H-苯并咪唑 4887-88-1 |
| 文献:Yu, Bo; Zhang, Hongye; Zhao, Yanfei; Chen, Sha; Xu, Jilei; Huang, Changliang; Liu, Zhimin Green Chemistry, 2013 , vol. 15, # 1 p. 95 - 99 |
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~%
5-溴-1H-苯并咪唑 4887-88-1 |
| 文献:SMITHKLINE BEECHAM CORPORATION Patent: WO2007/143456 A2, 2007 ; Location in patent: Page/Page column 88-89 ; |
|
~%
5-溴-1H-苯并咪唑 4887-88-1 |
| 文献:Young, Jonathan R.; Huang, Song X.; Walsh, Thomas F.; Wyvratt Jr., Matthew J.; Yang, Yi Tien; Yudkovitz, Joel B.; Cui, Jisong; Mount, George R.; Ren, Rena Ning; Wu, Tsuei-Ju; Shen, Xiaolan; Lyons, Kathryn A.; Mao, An-Hua; Carlin, Josephine R.; Karanam, Bindhu V.; Vincent, Stella H.; Cheng, Kang; Goulet, Mark T. Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 5 p. 827 - 832 |
|
~%
5-溴-1H-苯并咪唑 4887-88-1 |
| 文献:Fischer,O.; Mouson Chemische Berichte, 1905 , vol. 38, p. 325 |
| 5-溴-1H-苯并咪唑上游产品 9 | |
|---|---|
| 5-溴-1H-苯并咪唑下游产品 5 | |
| 海关编码 | 2933990090 |
|---|---|
| 中文概述 | 2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期 |
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
| 1H-Benzimidazole,5-bromo-(9CI) |
| 5-Bromo-1H-benzimidazole |
| 6-Bromo-1H-benzimidazole |
| 1H-BenziMidazole,6-broMo |
| 5-bromobenzimidazole |
| 5-Bromo-1H-benzo[d]imidazole |
| 5-broMo-1H-1,3-benzodiazole |
| 1H-Benzimidazole, 6-bromo- |
| 5(6)-bromobenzimidazole |
| 6-bromo-1H-benzimidazole(SALTDATA: FREE) |
| 6-bromo-1H-benzo[d]imidazole |
| 5-bromo-1(3)H-benzoimidazole |
| 5-BROMO-1H-BENZOIMIDAZOLE |