112809-25-3

• 常用中文名：4-(1H-1,2,4-三唑-1-基甲基)苯甲腈
• 常用英文名：4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile
• CAS号：112809-25-3
• 分子式：C₁₀H₈N₄
• 分子量：184.197
• 发布时间：2018-10-12 19:08:44
• 更新时间：2026-07-08 03:13:34

名称

• 中文名: 4-(1H-1,2,4-三唑-1-基甲基)苯甲腈
• 英文名: 4-((1H-1,2,4-Triazol-3-yl)methyl)benzonitrile
• 中文别名: 4-【1-(1,2,4-三氮唑基)甲基】-苯; 4-(1H-1,2,4-三唑基甲基)苯甲腈; 来曲唑中间体 1; 4-(1H-1,2,4-三唑基甲基)苯腈; 来曲唑杂质C; 三唑基甲基-苯腈; 4-((1H-1,2,4-三唑-3-基)甲基)苄腈; 来曲唑中间体一; 4-[1-(1,2,4-三氮唑基)甲基]苯腈
• 英文别名: 4-(1H-1,2,4-TRIAZOLYLMETHYL)BENZONITRILE; 4-(1H-1,2,4-Triazole-1-ylmethyl)benzonitrile; 4-[1-(1,2,4-triazoly1)-methyl}-benzonitrile; 4-[1,2,4]Triazol-1-ylmethyl-benzonitrile; 4-[1-(4-CYANOPHENYL)-HYDROXYMETHYL]-BENZONITRILE; 4-(1H-1,2,4-Triazol-1-ylmethyl)-benzonitrile; 4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZONITRILE; 4-[1-(1,2,4-triazolyl)-methyl-benzonitrile; 4-(1H-2,4 Trizole-1-ylmethyl) Benzonitrile; 4-[1-(1,2,4-triazolyl)-methyl]-benzonitrile ( For Letrozole ); Letrozole Impurity 3; Letrozole Impurity 4; 4-[1-(1,2,4-Triazolyl)-Methyl]-Benzonitrile(For export only); Benzonitrile, 4-(1H-1,2,4-triazol-1-ylmethyl); MFCD07368016; DK7421; 4-((1H-1,2,4-triazol-1-yl)methyl)benzonitrile (intermediate of letrozole); (1,2,4-Triazolyl)-methyl-benzonitril; Letrozole Impurity C; 4-(1,2,4-triazol-3-ylMethyl)benzonitrile; 4-((1H-1,2,4-Triazol-3-yl)Methyl)benzonitrile; 1-(4-Cyanobenzyl)-1,2,4-triazole; 4-(1,2,4-triazole-1-yl methyl) benzonitrile; 4-[1-(1,2,4-triazolyl)-methyl]-benzonitrile; INTERMEDIATE OF LETROZOLE; 4-((2H-1,2,3-Triazol-2-yl)methyl)benzonitrile; 4-(1H-1,2,4-Triazolylmethyl)benzonitrile

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 412.1±55.0 °C at 760 mmHg
• 熔点: 69-72ºC
• 分子式: C₁₀H₈N₄
• 分子量: 184.197
• 闪点: 203.0±31.5 °C
• 精确质量: 184.074890
• PSA: 65.36000
• LogP: 0.55
• 外观性状: 白色结晶粉末
• 蒸汽压: 0.0±1.0 mmHg at 25°C
• 折射率: 1.643
• 储存条件: 室温

安全

• 危害码 (欧洲): Xn:Harmful
• 风险声明 (欧洲): R10;R20/21/22
• 安全声明 (欧洲): S16-S22-S36/37/39
• 海关编码: 2933990090

合成路线

41253-21-8 17201-43-3 ~68% 112809-25-3

文献：US2007/66831 A1, ; Page/Page column 7-8 ;

288-88-0 17201-43-3 ~54% 112809-25-3

文献：European Journal of Medicinal Chemistry, , vol. 46, # 9 p. 4010 - 4024

17201-43-3 ~% 112809-25-3

文献：WO2007/107733 A1, ; Page/Page column 13-14; 16-17 ;

288-88-0 17201-43-3 ~% 112809-27-5 112809-25-3

文献：WO2005/47269 A1, ; Page/Page column 7-8 ;

112809-26-4 ~% 112809-25-3

文献：WO2005/47269 A1, ; Page/Page column 7-8 ;

上下游产品

上游产品  4
41253-21-8 17201-43-3 288-88-0 112809-26-4
下游产品  2
112809-52-6 112809-51-5

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%