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3-(4-chlorophenyl)-4-methyl-1H-1,2,4-triazol-5-one

更新时间:2025-09-22 17:07:19

3-(4-chlorophenyl)-4-methyl-1H-1,2,4-triazol-5-one结构式
3-(4-chlorophenyl)-4-methyl-1H-1,2,4-triazol-5-one结构式
委托求购
常用名 3-(4-chlorophenyl)-4-methyl-1H-1,2,4-triazol-5-one 英文名 3-(4-chlorophenyl)-4-methyl-1H-1,2,4-triazol-5-one
CAS号 116114-20-6 分子量 209.63200
密度 1.43g/cm3 沸点 N/A
分子式 C9H8ClN3O 熔点 N/A
MSDS N/A 闪点 N/A

 名称

英文名 3-(4-chlorophenyl)-4-methyl-1H-1,2,4-triazol-5-one

 物理化学性质

密度 1.43g/cm3
分子式 C9H8ClN3O
分子量 209.63200
精确质量 209.03600
PSA 50.94000
LogP 1.84110
InChIKey FMUWJXJGJZXYJN-UHFFFAOYSA-N
SMILES Cn1c(-c2ccc(Cl)cc2)n[nH]c1=O
折射率 1.663

 合成线路

~71%

3-(4-chlorophenyl)-4-methyl-1H-1,2,4-triazol-5-one结构式

3-(4-chlorophen...

116114-20-6

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

~%

3-(4-chlorophenyl)-4-methyl-1H-1,2,4-triazol-5-one结构式

3-(4-chlorophen...

116114-20-6

文献:Kane; Baron; Dudley; Sorensen; Staeger; Miller Journal of Medicinal Chemistry, 1990 , vol. 33, # 10 p. 2772 - 2777

 靶点实验

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