醋硝香豆素结构式
|
常用名 | 醋硝香豆素 | 英文名 | acenocoumarol |
|---|---|---|---|---|
| CAS号 | 152-72-7 | 分子量 | 353.326 | |
| 密度 | 1.4±0.1 g/cm3 | 沸点 | 592.7±50.0 °C at 760 mmHg | |
| 分子式 | C19H15NO6 | 熔点 | 196-199ºC | |
| MSDS | 中文版 美版 | 闪点 | 312.3±30.1 °C | |
| 符号 |
GHS07 |
信号词 | Warning |
醋硝香豆素用途Acenocoumarol是一种抗凝血剂,功能如同一个Vitamin K拮抗剂。 |
| 中文名 | 醋硝香豆素 |
|---|---|
| 英文名 | acenocoumarol |
| 中文别名 | 3-(1-对硝基苯基-3-氧代丁基)-4-羟基-2H-1-苯并吡喃-2-酮 | 醋硝香豆酮 |
| 英文别名 | 更多 |
| 密度 | 1.4±0.1 g/cm3 |
|---|---|
| 沸点 | 592.7±50.0 °C at 760 mmHg |
| 熔点 | 196-199ºC |
| 分子式 | C19H15NO6 |
| 分子量 | 353.326 |
| 闪点 | 312.3±30.1 °C |
| 精确质量 | 353.089935 |
| PSA | 113.33000 |
| LogP | 3.15 |
| 外观性状 | 白色结晶固体 |
| 蒸汽压 | 0.0±1.8 mmHg at 25°C |
| 折射率 | 1.656 |
| 储存条件 | 通风低温干燥。 |
| 水溶解性 | DMSO, heptane and xylene: ≥17mg/mL |
| 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:6 4.可旋转化学键数量:4 5.互变异构体数量:9 6.拓扑分子极性表面积109 7.重原子数量:26 8.表面电荷:0 9.复杂度:614 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:1 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.外观与性状：白色结晶性粉末。 2.熔点（℃）：196～199。 3.溶解性：难溶于水及有机溶剂。 |
| 符号 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H302-H315-H319-H335 |
| 警示性声明 | P301 + P312 + P330-P305 + P351 + P338 |
| 危害码 (欧洲) | Xn |
| 风险声明 (欧洲) | 63-22-36/37/38 |
| 安全声明 (欧洲) | 26-36/37 |
| 危险品运输编码 | UN 2811 |
| RTECS号 | GN4900000 |
| 包装等级 | III |
| 危险类别 | 6.1(b) |
| 海关编码 | 2932209090 |
|
~%
醋硝香豆素 152-72-7
醋硝香豆素 152-72-7 |
| 文献：Angewandte Chemie - International Edition, , vol. 42, # 40 p. 4955 - 4957 |
|
~%
醋硝香豆素 152-72-7
醋硝香豆素 152-72-7 |
| 文献：Bulletin of the Korean Chemical Society, , vol. 33, # 6 p. 1825 - 1826 |
|
~%
醋硝香豆素 152-72-7 |
| 文献：Tetrahedron Asymmetry, , vol. 12, # 5 p. 707 - 709 |
|
~%
醋硝香豆素 152-72-7 |
| 文献：Tetrahedron Asymmetry, , vol. 12, # 5 p. 707 - 709 |
| 醋硝香豆素上游产品 3 | |
|---|---|
| 醋硝香豆素下游产品 0 | |
将4-羟基香豆素和4-对硝基苯基丁烯-3-酮进行加成反应，得到的新抗凝粗品用丙酮重结晶，总收率55%。
| 海关编码 | 2932209090 |
|---|---|
| 中文概述 | 2932209090. 其他内酯. 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 | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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| UNII:I6WP63U32H |
| 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one |
| Trombostop |
| EINECS 205-807-3 |
| MFCD00137816 |
| 2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]- |
| 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)- |
| 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-, (±)- |
| 3-(a-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin |
| 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-1-benzopyran-2-one |
| acenocoumarol |
| 3-(a-p-Nitrophenyl-b-acetylethyl)-4-hydroxycoumarin |
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