4-氧四氢噻酚-3-羧酸甲酯结构式
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常用名 | 4-氧四氢噻酚-3-羧酸甲酯 | 英文名 | 4-Carbomethoxytetrahydro-3-thiophenone |
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CAS号 | 2689-68-1 | 分子量 | 160.191 | |
密度 | 1.3±0.1 g/cm3 | 沸点 | 248.4±40.0 °C at 760 mmHg | |
分子式 | C6H8O3S | 熔点 | 38-41ºC | |
MSDS | N/A | 闪点 | 116.7±15.4 °C |
中文名 | 4-氧四氢噻酚-3-羧酸甲酯 |
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英文名 | methyl 4-oxotetrahydrothiophene-3-carboxylate |
中文别名 | 4-氧代四氢噻酚-3-羧酸甲酯 |
英文别名 | 更多 |
密度 | 1.3±0.1 g/cm3 |
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沸点 | 248.4±40.0 °C at 760 mmHg |
熔点 | 38-41ºC |
分子式 | C6H8O3S |
分子量 | 160.191 |
闪点 | 116.7±15.4 °C |
精确质量 | 160.019409 |
PSA | 68.67000 |
LogP | -0.10 |
外观性状 | 淡黄色至黄色结晶粉末 |
蒸汽压 | 0.0±0.5 mmHg at 25°C |
折射率 | 1.528 |
储存条件 | 2~8℃ |
计算化学 | 1.疏水参数计算参考值(XlogP):0.5 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:2 5.互变异构体数量:5 6.拓扑分子极性表面积:68.7 7.重原子数量:10 8.表面电荷:0 9.复杂度:166 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 |
危害码 (欧洲) | Xi: Irritant; |
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风险声明 (欧洲) | R36/37/38 |
安全声明 (欧洲) | 26-37/39 |
海关编码 | 2934999090 |
~37% 4-氧四氢噻酚-3-羧酸甲酯 2689-68-1 |
文献:LAILA NUTRACEUTICALS Patent: US2010/68178 A1, 2010 ; Location in patent: Page/Page column 17 ; |
~52% 4-氧四氢噻酚-3-羧酸甲酯 2689-68-1 |
文献:MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. Patent: WO2006/97449 A1, 2006 ; Location in patent: Page/Page column 24-25 ; |
~46% 4-氧四氢噻酚-3-羧酸甲酯 2689-68-1 |
文献:ELI LILLY AND COMPANY Patent: WO2004/94400 A2, 2004 ; Location in patent: Page 41 ; WO 2004/094400 A2 |
~40% 4-氧四氢噻酚-3-羧酸甲酯 2689-68-1 |
文献:Liu, Hsing-Jang; Ngooi, Teng Ko Canadian Journal of Chemistry, 1982 , vol. 60, p. 437 - 439 |
4-氧四氢噻酚-3-羧酸甲酯上游产品 3 | |
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4-氧四氢噻酚-3-羧酸甲酯下游产品 10 | |
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% |
methyl tetrahydro-4-oxo-3-thenoate |
4-CARBOMETHOXYTETRAHYDRO-3-THIOPHENE |
Methyl 4-oxotetrahydrothiophene-3-carboxylate |
Methyl4-oxotetrahydrothiophene-3-carboxylate |
3-oxo-4-methoxycarbonyltetrahydrothiophene |
methyl 4-keto-tetrahydrothiophene-3-carboxylate |
methyl 4-oxo-tetrahydro-thiophene-3-carboxylate |
Methyl 4-oxotetrahydro-3-thiophenecarboxylate |
Methyl tetrahydro-4-oxo-3-thiophenecarboxylate |
4-Carbomethoxytetrahydro-3-thiophenone |
4-carbomethoxy-2,3,4,5-tetrahydro-3-thiophenone |
Methyl 3-oxotetrahydrothiophene-4-carboxylate |
3-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester |
Methyl 4-oxotetrahydrothiophene-3-carboxylate,Tech. |
4-oxo-tetrahydro-thiophene-3-carboxylic acid methyl ester |
METHYL 3-OXOTETRAHYDROTHIOPHENE4-CARBOXYLATE |
tetrahydro-4-oxo-3-thiophenecarboxylicacimethylester |
methyl 4-oxo-2,3,4,5-tetrahydrothiophene-3-carboxylate |