CAS: 2230270-05-8; Ethyl 2-(4-Butoxy-3-Cyanophenyl)-4-Methylthiazole-5-Carboxylate

• 英文名称Ethyl 2-(4-Butoxy-3-Cyanophenyl)-4-Methylthiazole-5-Carboxylate
• 中文名称乙基2-(4-丁氧基-3-氰基苯基)-4-甲基噻唑-5-羧酸甲酯
• IUPAC名称ethyl 2-(4-butoxy-3-cyanophenyl)-4-methylthiazole-5-carboxylate
• 其它别名Ethyl 2-(4-Butoxy-3-Cyanophenyl)-4-Methylthiazole-5-Carboxylate; Ethyl 2-(3-Formyl-4-Isopropoxyphenyl)-4-Methylthiazole-5-Carboxylate; Febuxostat Impurity 45/ethyl 2-(3-Formyl-4-Isopropoxyphenyl)-4-Methylthiazole-5- Carboxylate; Febuxostat-44; 5-Thiazolecarboxylic Acid, 2-(4-Butoxy-3-Cyanophenyl)-4-Methyl-, Ethyl Ester; Febuxostat Impurity Z2-5; It Is Not A Buxostat Impurity 50
• CAS编号2230270-05-8
• MFCD编号:MFCD34597673
• 分子式:C18H20N2O3S分子量:344.43
• 产品CID: 1157064
• 产品分类Chemistry → Heterocyclic Building Blocks → Aromatic Heterocycles

• 相似结构搜索
• InChIKey: DBHRMOUXCXDEAO-UHFFFAOYSA-N
• InChI=1S/C18H20N2O3S/c1-4-6-9-23-15-8-7-13(10-14(15)11-19)17-20-12(3)16(24-17)18(21)22-5-2/h7-8,10H,4-6,9H2,1-3H3
• 计算化学: 氢键受体数6.0氢键供体数0.0可旋转键数8.0

物理性质

• 熔点132-134°C
• 沸点502.6±60.0 °C(预测)
• 密度1.22±0.1 g/cm3(预测)
• pKa:1.03±0.10(预测)
• LogP:4.5
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 外观形态白色至类白色固体
• 储存条件冰箱

MSDS等安全信息

• 警示词Warning
• 危险描述H302+H312+H332-H315-H319-
• 防范说明P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501-

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  2905121000-正丙醇
  2905130000-正丁醇
  2912110000-甲醛
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