1-甲基-1H-吡唑-5-羧酸结构式
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常用名 | 1-甲基-1H-吡唑-5-羧酸 | 英文名 | 1-Methylpyrazole-5-carboxylic Acid |
|---|---|---|---|---|
| CAS号 | 16034-46-1 | 分子量 | 126.11 | |
| 密度 | 1.3±0.1 g/cm3 | 沸点 | 306.9±15.0 °C at 760 mmHg | |
| 分子式 | C5H6N2O2 | 熔点 | 223.5-224.5 | |
| MSDS | 中文版 美版 | 闪点 | 139.4±20.4 °C | |
| 符号 |
GHS07 |
信号词 | Warning |
1-甲基-1H-吡唑-5-羧酸用途1-甲基-5-吡唑羧酸是一种生物化学试剂,可作为生物材料或有机化合物用于生命科学相关研究。 |
| 中文名 | 1-甲基吡唑-5-甲酸 |
|---|---|
| 英文名 | 1-Methylpyrazole-5-carboxylic Acid |
| 中文别名 | 1-甲基吡唑-5-羧酸 | 1-甲基-吡唑-5-羧酸 | 1-甲基-1H-吡唑-5-羧酸 |
| 英文别名 | 更多 |
| 密度 | 1.3±0.1 g/cm3 |
|---|---|
| 沸点 | 306.9±15.0 °C at 760 mmHg |
| 熔点 | 223.5-224.5 |
| 分子式 | C5H6N2O2 |
| 分子量 | 126.11 |
| 闪点 | 139.4±20.4 °C |
| 精确质量 | 126.042931 |
| PSA | 55.12000 |
| LogP | -0.36 |
| 外观性状 | 固体;White to Almost white powder to crystal |
| 蒸汽压 | 0.0±0.7 mmHg at 25°C |
| 折射率 | 1.591 |
| 储存条件 | 室温，干燥，密封 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:0.1 2.氢键供体数量:1 3.氢键受体数量:3 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55.1 7.重原子数量:9 8.表面电荷:0 9.复杂度:126 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.熔点（ºC）：220~225 |
| 符号 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H315-H319-H335 |
| 警示性声明 | P261-P305 + P351 + P338 |
| 危害码 (欧洲) | Xi: Irritant; |
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | 37/39-26 |
| 危险品运输编码 | NONH for all modes of transport |
| 海关编码 | 2933199090 |
|
~44%
1-甲基-1H-吡唑-5-羧酸 16034-46-1 |
| 文献：Galapagos NV Patent: WO2009/71706 A1, 2009 ; Location in patent: Page/Page column 48 ; WO 2009/071706 A1 |
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~38%
1-甲基-1H-吡唑-5-羧酸 16034-46-1 |
| 文献：J. Gen. Chem. USSR (Engl. Transl.), , vol. 52, # 11 p. 2592 - 2598,2291 - 2296 |
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~27%
1-甲基-1H-吡唑-5-羧酸 16034-46-1 |
| 文献：Takeda Pharmaceutical Company Limited Patent: EP2530078 A1, 2012 ; Location in patent: Page/Page column 64 ; |
|
~77%
1-甲基-1H-吡唑-5-羧酸 16034-46-1 |
| 文献：Manaev, Yu. A.; Andreeva, M. A.; Perevalov, V. P.; Stepanov, B. I.; Dubrovskaya, V. A.; Seraya, V. I. J. Gen. Chem. USSR (Engl. Transl.), 1982 , vol. 52, # 11 p. 2592 - 2598,2291 - 2296 |
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~%
1-甲基-1H-吡唑-5-羧酸 16034-46-1 |
| 文献：Journal of the American Chemical Society, , vol. 80, p. 6271,6273 Justus Liebigs Annalen der Chemie, , vol. 625, p. 55,60 |
|
~99%
1-甲基-1H-吡唑-5-羧酸 16034-46-1 |
| 文献：Lyalin; Petrosyan Russian Chemical Bulletin, 2012 , vol. 61, # 6 p. 1148 - 1153 Izv. Akad. Nauk, Ser. Khim., 2012 , vol. 61, # 6 p. 1139 - 1143,5 |
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~%
1-甲基-1H-吡唑-5-羧酸 16034-46-1 |
| 文献：Journal of the American Chemical Society, , vol. 80, p. 6271,6273 Justus Liebigs Annalen der Chemie, , vol. 625, p. 55,60 |
|
~%
1-甲基-1H-吡唑-5-羧酸 16034-46-1 |
| 文献：Journal of the American Chemical Society, , vol. 80, p. 6271,6273 Justus Liebigs Annalen der Chemie, , vol. 625, p. 55,60 |
| 1-甲基-1H-吡唑-5-羧酸上游产品 10 | |
|---|---|
| 1-甲基-1H-吡唑-5-羧酸下游产品 10 | |
| 海关编码 | 2933199090 |
|---|---|
| 中文概述 | 2933199090. 其他结构上有非稠合吡唑环化合物. 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 | 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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| 2-methylpyrazole-3-carboxylic acid |
| 1-Methyl-pyrazole-5-carboxylicacid |
| N-Methylpyrazole-3-carboxylic acid |
| 1H-Pyrazole-5-carboxylic acid, 1-methyl- |
| N-methyl-pyrazole-3-carboxylic acid |
| MFCD00464253 |
| 1-Methylpyrazole-5-carboxylic acid |
| 2H-Pyrazole-3-carboxylic acid, 2-methyl- |
| 1-Methyl-1H-pyrazole-5-carboxylic acid |
| 2-Methyl-2H-pyrazole-3-carboxylic acid |
| T5NNJ A1 EVQ |
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