110684-29-2

• 常用中文名：3-[3-(4-chlorophenyl)triazol-4-yl]pyridine
• 常用英文名：3-[3-(4-chlorophenyl)triazol-4-yl]pyridine
• CAS号：110684-29-2
• 分子式：C₁₃H₉ClN₄
• 分子量：256.69000
• 发布时间：2016-03-05 23:16:48
• 更新时间：2024-01-16 20:23:04

名称

• 英文名: 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine

物化性质

• 密度: 1.34g/cm3
• 沸点: 460.4ºC at 760mmHg
• 分子式: C₁₃H₉ClN₄
• 分子量: 256.69000
• 闪点: 232.2ºC
• 精确质量: 256.05200
• PSA: 43.60000
• LogP: 2.98270
• 蒸汽压: 1.17E-08mmHg at 25°C
• 折射率: 1.685

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : US7225500 CHEMICAL NAME : Pyridine, 3-(1-(4-chlorophenyl)-1H-1,2,3-triazol-5-yl)- CAS REGISTRY NUMBER : 110684-29-2 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C13-H9-Cl-N4 MOLECULAR WEIGHT : 256.71 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 569 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4610994

合成路线

106878-45-9 ~85% 110684-29-2

文献：Kadaba, Pankaja Journal of Medicinal Chemistry, 1988 , vol. 31, # 1 p. 196 - 203

41855-64-5 ~% 110684-29-2

文献：Kadaba, Pankaja K.; Parmley, Gordon; Crooks, Peter A.; Agha, Bushra Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 5 p. 1191 - 1196

100-54-9 3296-05-7 ~% 110684-29-2

文献：Irie, Takayuki; Fujii, Ikuo; Sawa, Masaaki Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 1 p. 591 - 596