86386-77-8 (1-[2-(2,4-二氟苯基)-2,3-环氧丙烷]-1H-1,2,4-三氮唑甲磺酸盐,2-[[(2,4-Difluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole methanesulfonate)

CAS号:
86386-77-8
中文名称:
1-[2-(2,4-二氟苯基)-2,3-环氧丙烷]-1H-1,2,4-三氮唑甲磺酸盐
英文名称:
2-[[(2,4-Difluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole methanesulfonate
分子式:
C12H13F2N3O4S
分子量:
333.311128377914

1-[2-(2,4-二氟苯基)-2,3-环氧丙烷]-1H-1,2,4-三氮唑甲磺酸盐(86386-77-8)名称与标识符

名称

中文别名:
1-[2-(2,4-二氟苯基)-2,3-环氧丙烷]-1H-1,2,4-三氮唑甲磺酸盐;1-[2-(2,4-二氟苯基)-2,3环氧丙烷]-1H-1,2,4-三氮唑甲磺酸盐;2-[[(2,4-二氟苯基)-2-环氧乙烷]甲基]-1H-1,2,4-噻唑甲烷磺酸盐;氟康唑杂质;氟康唑中间体;环氧氟康唑;三氮唑甲磺酸盐;氟康唑杂质G;1-[2-(2,4-二氟苯基)-2,3-环氧丙基]-1H-1,2,4-三唑 甲烷磺酸酯;
英文别名:
2-[[(2,4-Difluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole methanesulfonate;2-(2,4-Difluorophenyl)-2,3-epoxy-1-(1H-1,2,4-triazol-1-yl)propane methanesulfonate salt;1-[[(2RS)-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1H-1,2,4-triazole;1-[2-(2,4-Difluorophenyl)-2,3-Epoxypropyl]-1H-1,2,4-Triazole Methanesulfonate;2-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,3-dihydro-1,2,4-triazole,methanesulfonic acid;2,4,6-TRIMETHOXYBENZYLAMINE HYDROCHLORIDE;2,4-Difluorophenyl) 1-(1H, 1-yl-1,2,4 Triazole-2,3-Epoxy propane methane sulfona;1H-1,2,4-Triazole, 1-[[2-(2,4-difluorophenyl)oxiranyl]methyl]-, monomethanesulfonate (9CI);2-(2,4-Difluorophenyl)-2-((1H-1,2,4-triazol-1-yl)methyl)oxirane methanesulfonate;QB4948WV8P;1-[2-(2,4-Difluorophenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole methanesulphonate;NS00078475;1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole; methanesulfonic acid;J-507218;SCHEMBL7639548;1-{[2-(2,4-DIFLUOROPHENYL)OXIRAN-2-YL]METHYL}-1,2,4-TRIAZOLE; METHANESULFONIC ACID;1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;methanesulfonic acid;1-[2-(2,4-Difluorophenyl)-2,3-epoxypropyl]-1H-1, 2, 4-triazole methanesulfonate;1-[[2-(2,4-Difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole methanesulfonic acid;1-{[2-(2,4-difluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole monomethanesulfonate;1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate;Fluconazole Impurity (1-(2,4-Difluorophenyl)-1-(1H-1,2,4-Triazol-1-yl)-2,3-Epoxy Propane Methanesulfonate Salt);1H-1,2,4-Triazole, 1-[[2-(2,4-difluorophenyl)-2-oxiranyl]methyl]-, methanesulfonate (1:1);MS-20784;C12H13F2N3O4S;86386-77-8;TQR1089;1H-1,2,4-Triazole, 1-[[2-(2,4-difluorophenyl)oxiranyl]methyl]-, monomethanesulfonate;AKOS015904526;NJBRNNOGZPVNNR-UHFFFAOYSA-N;

标识符

MDL:
MFCD13184268
InChIKey:
NJBRNNOGZPVNNR-UHFFFAOYSA-N
Inchi:
1S/C11H9F2N3O.CH4O3S/c12-8-1-2-9(10(13)3-8)11(5-17-11)4-16-7-14-6-15-16;1-5(2,3)4/h1-3,6-7H,4-5H2;1H3,(H,2,3,4)
SMILES:
O=S(C)(O)=O.FC1C=C(F)C(C2(CO2)CN2C=NC=N2)=CC=1

1-[2-(2,4-二氟苯基)-2,3-环氧丙烷]-1H-1,2,4-三氮唑甲磺酸盐(86386-77-8)物化性质

实验特性

  • LogP : 2.12930
  • PSA : 105.99000
  • 沸点 : 541.1 °C at 760 mmHg
  • 闪点 : 281 °C

计算特性

  • 精确分子量 : 333.05900
  • 氢键供体数量 : 1
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 3
  • 同位素质量 : 333.05948340g/mol
  • 重原子数量 : 22
  • 复杂度 : 386
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 2
  • 拓扑分子极性表面积 : 106Ų

1-[2-(2,4-二氟苯基)-2,3-环氧丙烷]-1H-1,2,4-三氮唑甲磺酸盐(86386-77-8)生产方法和用途

用途:
氟康唑和伏立康唑中间体。

1-[2-(2,4-二氟苯基)-2,3-环氧丙烷]-1H-1,2,4-三氮唑甲磺酸盐(86386-77-8)推荐厂家 更多厂家(53)

1-[2-(2,4-二氟苯基)-2,3-环氧丙烷]-1H-1,2,4-三氮唑甲磺酸盐(86386-77-8)参考资料

Reaxys RN:
PubChem CID: