51640-36-9
基本信息
2-氯噻唑-5-甲腈
2-氯-5-噻唑甲腈
2-氯-5-氰基噻唑
2-CHLOROTHIAZOLE-5-CARBONITRILE
2-chloro-5-thiazolecarbonitrile
5-Thiazolecarbonitrile, 2-chloro-
2-Chlorothiazole-5-carbonitrile 97%
2-CHLORO-1,3-THIAZOLE-5-CARBONITRILE
2-Chlorothiazole-5-carbonitrile ,97%
2-CHLOROTHIAZOLE-5-CARBONITRILE, 95+%
2-CHLOROTHIAZOLE-5-CARBONITRILE,2-CHLORO-5-THIAZOLE CARBONITRILE
物理化学性质
| 熔点 | 47-49° |
| 沸点 | 291.1±32.0 °C(Predicted) |
| 密度 | 1.53±0.1 g/cm3(Predicted) |
| 闪点 | 104℃ |
| 储存条件 | -20°C |
| 酸度系数(pKa) | -2.28±0.10(Predicted) |
| 形态 | solid |
| 外观 | Light yellow to yellow Solid |
| InChI | InChI=1S/C4HClN2S/c5-4-7-2-3(1-6)8-4/h2H |
| InChIKey | BAFLVXULMMAKMM-UHFFFAOYSA-N |
| SMILES | S1C(C#N)=CN=C1Cl |
安全数据
| 危险性符号(GHS) | ![]() ![]() GHS05,GHS07 |
| 警示词 | 危险 |
| 危险性描述 | H302-H318 |
| 防范说明 | P280-P301+P312+P330-P305+P351+P338+P310 |
| 危险品标志 | Xn |
| 危险类别码 | 22-41 |
| 安全说明 | 26 |
| WGK Germany | 3 |
| 危险等级 | IRRITANT |
| 海关编码 | 2934100090 |
制备方法
51640-52-9
51640-36-9
以2-氨基-5-氰基噻唑为起始原料合成2-氯噻唑-5-甲腈的一般步骤:将3.4 g(27 mmol)2-氨基-5-氰基噻唑(实施例43)与5.1 g(30 mmol)二水合氯化铜均匀分散于100 mL乙腈中。在剧烈搅拌条件下,于30分钟内缓慢滴加5.7 mL亚硝酸异戊酯的乙腈溶液,滴加完毕后继续反应10小时。反应完成后,将反应混合物浓缩,残余物溶解于乙酸乙酯中,过滤去除不溶性杂质。浓缩有机相,通过柱色谱法进行纯化,得到2.6 g目标产物(收率67%),为液体。该液体静置后可析出针状结晶,熔点为54-57℃。13C NMR(CDCl3,ppm)数据如下:108.16, 110.41, 150.59, 157.36;质谱(EI)显示分子离子峰m/z为144.1(M+)。
参考文献:
[1] Journal of Medicinal Chemistry, 2004, vol. 47, # 25, p. 6363 - 6372
[2] Patent: EP2039686, 2009, A1. Location in patent: Page/Page column 32-33
[3] Patent: US2010/87448, 2010, A1. Location in patent: Page/Page column 22
[4] Patent: US2004/23978, 2004, A1. Location in patent: Page/Page column 13
[5] Patent: US2004/23980, 2004, A1. Location in patent: Page/Page column 13
2-氯-5-氰基噻唑价格(试剂级)
| 报价日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
| 2026/06/05 | XW025164036901 | 2-氯-5-氰基噻唑 | 51640-36-9 | 250MG | 47元 |
| 2024/08/19 | XW025164036904 | 2-氯-5-氰基噻唑 | 51640-36-9 | 10G | 955元 |
| 2024/08/19 | XW025164036903 | 2-氯-5-氰基噻唑 | 51640-36-9 | 5G | 500元 |

