4-吡唑-乙炔结构式
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常用名 | 4-吡唑-乙炔 | 英文名 | 4-Ethynyl-1H-pyrazole |
|---|---|---|---|---|
| CAS号 | 57121-49-0 | 分子量 | 92.099 | |
| 密度 | 1.2±0.1 g/cm3 | 沸点 | 238.5±13.0 °C at 760 mmHg | |
| 分子式 | C5H4N2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 114.3±12.8 °C |
| 中文名 | 4-乙炔吡唑 |
|---|---|
| 英文名 | 4-ethynyl-1H-pyrazole |
| 英文别名 | 更多 |
| 密度 | 1.2±0.1 g/cm3 |
|---|---|
| 沸点 | 238.5±13.0 °C at 760 mmHg |
| 分子式 | C5H4N2 |
| 分子量 | 92.099 |
| 闪点 | 114.3±12.8 °C |
| 精确质量 | 92.037445 |
| PSA | 28.68000 |
| LogP | 0.50 |
| InChIKey | UXZQDYUBSQMFIE-UHFFFAOYSA-N |
| SMILES | C#Cc1cn[nH]c1 |
| 蒸汽压 | 0.1±0.5 mmHg at 25°C |
| 折射率 | 1.554 |
| 储存条件 | 室温,干燥 |
| 危害码 (欧洲) | Xi |
|---|
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~99%
4-吡唑-乙炔 57121-49-0 |
| 文献:GENENTECH, INC.; BRYAN, Marian C.; CHAN, Bryan; HANAN, Emily; HEFFRON, Timothy; PURKEY, Hans; ELLIOTT, Richard Leonard; HEALD, Robert; KNIGHT, Jamie; LAINCHBURY, Michael; SEWARD, Eileen M. Patent: WO2014/81718 A1, 2014 ; Location in patent: Page/Page column 39 ; |
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~95%
4-吡唑-乙炔 57121-49-0 |
| 文献:UCB PHARMA S.A. Patent: WO2007/141504 A1, 2007 ; Location in patent: Page/Page column 61 ; WO 2007/141504 A1 |
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~69%
4-吡唑-乙炔 57121-49-0 |
| 文献:Tolf, Bo-Ragnar; Dahlbom, Richard; Theorell, Hugo; Akeson, Ake Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry, 1982 , vol. 36, # 2 p. 101 - 108 |
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~47%
4-吡唑-乙炔 57121-49-0 |
| 文献:Heinisch, Gottfried; Holzer, Wolfgang; Obala, Claudia Monatshefte fuer Chemie, 1988 , vol. 119, p. 253 - 262 |
| 4-吡唑-乙炔上游产品 1 | |
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| 4-吡唑-乙炔下游产品 2 | |
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实验名称:Glutathione reactivity assessed as thiol reactivity rate constant at 250 uM up to 72 ...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL4480471
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实验名称:Glutathione reactivity assessed as half life at 250 uM up to 72 hrs by HPLC-MS or NMR...
来源:ChEMBL
靶标:N/A
External Id:CHEMBL4480472
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实验名称:Stability of the compound assessed as half life for degradation
来源:ChEMBL
靶标:N/A
External Id:CHEMBL4480473
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| 1H-Pyrazole,4-ethynyl |
| 4-ethynylpyrazole |
| 4-Ethinylpyrazol |
| 4-Ethynyl-1H-pyrazole |