114058-92-3

• 常用中文名：5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazole-3-thione
• 常用英文名：5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazole-3-thione
• CAS号：114058-92-3
• 分子式：C₁₁H₁₂ClN₃S
• 分子量：253.75100
• 发布时间：2017-08-23 05:48:45
• 更新时间：2024-04-03 16:03:15

名称

• 英文名: 5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazole-3-thione

物化性质

• 密度: 1.29g/cm3
• 沸点: 318.1ºC at 760mmHg
• 分子式: C₁₁H₁₂ClN₃S
• 分子量: 253.75100
• 精确质量: 253.04400
• PSA: 54.84000
• LogP: 3.29140
• 蒸汽压: 0.00037mmHg at 25°C
• 折射率: 1.643

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XZ5359049 CHEMICAL NAME : 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl- CAS REGISTRY NUMBER : 114058-92-3 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C11-H12-Cl-N3-S MOLECULAR WEIGHT : 253.77 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 : 400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 31,1253,1988

合成路线

114058-88-7 ~66% 114058-92-3

文献：Kane, John M.; Dudley, Mark W.; Sorensen, Stephen M.; Miller, Francis P. Journal of Medicinal Chemistry, 1988 , vol. 31, # 6 p. 1253 - 1258

116114-20-6 ~% 114058-92-3

文献：Kane, John M. Synthesis, 1987 , # 10 p. 912 - 914

116114-17-1 ~% 114058-92-3

文献：Kane, John M. Synthesis, 1987 , # 10 p. 912 - 914

536-40-3 ~% 114058-92-3

文献：Kane, John M. Synthesis, 1987 , # 10 p. 912 - 914