头孢地嗪侧链酸结构式
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常用名 | 头孢地嗪侧链酸 | 英文名 | 2-Mercapto-4-methyl-5-thiazoleacetic acid |
|---|---|---|---|---|
| CAS号 | 34272-64-5 | 分子量 | 189.255 | |
| 密度 | 1.5±0.1 g/cm3 | 沸点 | 375.6±34.0 °C at 760 mmHg | |
| 分子式 | C6H7NO2S2 | 熔点 | 207 °C (dec.)(lit.) | |
| MSDS | 中文版 美版 | 闪点 | 181.0±25.7 °C | |
| 符号 |
GHS07 |
信号词 | Warning |
头孢地嗪侧链酸用途用作头孢类原料药及中间体 |
| 中文名 | 2-巯基-4-甲基-5-噻唑乙酸 |
|---|---|
| 英文名 | 2-Mercapto-4-methyl-5-thiazoleacetic acid |
| 中文别名 | 头孢地嗪侧链酸 | MTAA/MMTA头孢地嗪侧链酸 | (2-巯基-4-甲基-噻唑-5-基)-乙酸 | 2-巯基-4-甲基-1,3-噻唑-5-基乙酸 | 5-(羧甲基)-2-巯基-4-甲基噻唑 | (2-巯基-4-甲基-5-噻唑基)乙酸 |
| 英文别名 | 更多 |
| 密度 | 1.5±0.1 g/cm3 |
|---|---|
| 沸点 | 375.6±34.0 °C at 760 mmHg |
| 熔点 | 207 °C (dec.)(lit.) |
| 分子式 | C6H7NO2S2 |
| 分子量 | 189.255 |
| 闪点 | 181.0±25.7 °C |
| 精确质量 | 188.991821 |
| PSA | 117.23000 |
| LogP | 1.41 |
| InChIKey | KYBOCQHDFLVQIB-UHFFFAOYSA-N |
| SMILES | Cc1[nH]c(=S)sc1CC(=O)O |
| 外观性状 | 白色至淡黄色晶体粉末 |
| 蒸汽压 | 0.0±0.9 mmHg at 25°C |
| 折射率 | 1.650 |
| 储存条件 | 室温 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):0.7 2.氢键供体数量:2 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:2 6.拓扑分子极性表面积107 7.重原子数量:11 8.表面电荷:0 9.复杂度:247 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. 性状:未确定 2. 密度(g/mL,20℃):未确定 3. 相对蒸汽密度(g/mL,空气=1):未确定 4. 熔点(ºC):207 5. 沸点(ºC,常压):未确定 6. 沸点(ºC,KPa):未确定 7. 折射率:未确定 8. 闪点(ºC):未确定 9. 比旋光度(º):未确定 10. 自燃点或引燃温度(ºC):未确定 11. 蒸气压(Pa,20ºC):未确定 12. 饱和蒸气压(KPa,20ºC):未确定 13. 燃烧热(KJ/mol):未确定 14. 临界温度(ºC):未确定 15. 临界压力(KPa):未确定 16. 油水(辛醇/水)分配系数的对数值:未确定 17. 爆炸上限(%,V/V):未确定 18. 爆炸下限(%,V/V):未确定 19. 溶解性:未确定 |
| 符号 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H315-H319-H335 |
| 警示性声明 | P261-P305 + P351 + P338 |
| 个人防护装备 | dust mask type N95 (US);Eyeshields;Gloves |
| 危害码 (欧洲) | Xi: Irritant; |
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S36 |
| 危险品运输编码 | UN 3335 |
| WGK德国 | 3 |
| RTECS号 | XJ1921000 |
| 海关编码 | 2934100090 |
| 头孢地嗪侧链酸上游产品 1 | |
|---|---|
| 头孢地嗪侧链酸下游产品 0 | |
| 海关编码 | 2934100090 |
|---|---|
| 中文概述 | 2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 增值税率:17.0%. 退税率:9.0%. 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 | 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0% |
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| (4-Methyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)acetic acid |
| 2-MERCAPTO-4-METHYLTHIAZOLE-5-ACETIC ACID |
| 5-carboxymethyl-4-methylthiazole-2-thiol |
| (2-Mercapto-4-methyl-5-thiazolyl)acetic Acid |
| 5-(Carboxymethyl)-2-mercapto-4-methylthiazole |
| MMTA |
| 2-mercapto-4-methyl-5-thiazoleaceticaci |
| 5-carboxymethyl-2-mercapto-4-methylthiazole |
| 2-Mercapto-4-methyl |
| 4-Methyl-2-mercaptothiazole-5-acetic acid |
| 2-Mercapto-4-Methyl-5-Thiazole |
| 2-mercapto-4-methyl-1,3-thiazol-5-ylacetic acid |
| 2-mercapto-4-methylthiazole-5-yl acetic acid |
| EINECS 251-905-4 |
| MFCD01750430 |
| 2-Mercapto-4-methylthizaol-5-yl)acetic acid |
| 5-carboxymethyl-2-mercapto-4-methyl-1,3-thiazole |
| (2-mercapto-4-methyl-1,3-thiazol-5-yl)acetic acid |
| 2-MERCAPTO-4-METHYL-5-THIAZOLEACETIC ACID |
| 2-mercapto-4-methyl-5-Thiazole acetic acid(MMTA) |
| 2-Mercapto-4-Methylthiazol |
| Cefodizime Impurity 3 |