6-溴-5-羟基-1-甲基-2-(苯基硫甲基)吲哚-3-甲酸乙酯 基本信息
| 中文名称 | 6-溴-5-羟基-1-甲基-2-(苯基硫甲基)吲哚-3-甲酸乙酯 |
|---|---|
| 中文同义词 | 6-溴-5-羟基-1-甲基-2-苯硫甲基吲哚-3-羧酸乙酯;阿比朵尔中间体五;盐酸阿比朵尔中五;阿比朵尔中间体5;6-溴-5-羟基-1-甲基-2-(苯基硫甲基)吲哚-3-甲酸乙酯;6-溴-5-羟基-1-甲基-2-苯基硫甲基-1H-吲哚-3-羧酸乙酯;盐酸阿比朵尔中间体-5;阿比多杂质5 |
| 英文名称 | Ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate |
| 英文同义词 | Ethyl 6-bromo-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate;6-broMo-5-hydroxy-1-Methyl-2-phenyl S-Methyl indole-3-carboxylic acid ethyl ester;6-Bromo-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-1H-indole-3-carboxylic Acid Ethyl Ester;1-methyl-2-phenylthiomethyl-5-hydroxy-6-bromoindole -3- carboxy acid ethyl ester;ETHYL6-BROMO-6-HYDROXY-1-METHYL-2-((PHENYLTHIO)METHYL)IND.;ETHYL 6-BROMO-5-HYDROXY-1-METHYL-2-(PHENYLSULFANYLMETHYL)INDOLE-3-CARBOXYLATE;1H-Indole-3-carboxylic acid, 6-bromo-5-hydroxy-1-methyl-2-((phenylthio)methyl)-, ethyl ester;1-Methyl-2-phenylthiomethyl-3-ethoxycarbonyl-5-hydroxy-6-bromoindole |
| CAS号 | 131707-24-9 |
| 分子式 | C19H18BrNO3S |
| 分子量 | 420.32 |
| EINECS号 | 629-769-6 |
| 相关类别 | 化工原料;医药中间体;中间体;医药产品;化工中间体;原料;原料药 |
| Mol文件 | 131707-24-9.mol |
| 结构式 |  |
6-溴-5-羟基-1-甲基-2-(苯基硫甲基)吲哚-3-甲酸乙酯 性质
| 熔点 | >192°C (dec.) |
|---|---|
| 沸点 | 570.6±50.0 °C(Predicted) |
| 密度 | 1.44±0.1 g/cm3(Predicted) |
| 储存条件 | under inert gas (nitrogen or Argon) at 2-8°C |
| 溶解度 | DMSO（少量）、甲醇（少量，加热） |
| 酸度系数(pKa) | 7.60±0.40(Predicted) |
| 形态 | 固体 |
| 颜色 | 白色至浅棕色 |
| InChI | InChI=1S/C19H18BrNO3S/c1-3-24-19(23)18-13-9-17(22)14(20)10-15(13)21(2)16(18)11-25-12-7-5-4-6-8-12/h4-10,22H,3,11H2,1-2H3 |
| InChIKey | DAFNNZWQTJQQAP-UHFFFAOYSA-N |
| SMILES | N1(C)C2=C(C=C(O)C(Br)=C2)C(C(OCC)=O)=C1CSC1=CC=CC=C1 |
安全信息
| 危险等级 | IRRITANT |
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