100215-29-0 ((2-Methyl-5-nitroimidazole)

CAS号:
100215-29-0
英文名称:
2-Methyl-5-nitroimidazole
分子式:
C4H5N3O2
分子量:
127.101400136948

2-Methyl-5-nitroimidazole(100215-29-0)名称与标识符

名称

英文别名:
CHEBI:181956;FT-0612958;2-Methyl-4(5)-nitroimidazole;EC 211-790-3;BCP32909;L-581490;Metronidazole impurity A;2-Methyl-5-nitro-1H-imidazole;UNII-24AG2WW15W;AKOS025394814;CS-W011149;Q27253838;Z1245636358;AS-10894;2-Methyl-5-nitroimidazole, British Pharmacopoeia (BP) Reference Standard;AKOS000294748;100215-29-0;696-23-1;AC-10807;SMR004703227;InChI=1/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6);Tinidazole impurity A, European Pharmacopoeia (EP) Reference Standard;1H-Imidazole, 2-methyl-4-nitro-;Menidazole, VETRANAL(TM), analytical standard;DTXSID2061010;AC-8195;PD055434;F1905-7036;2-METHYL-4-NITRO-1H-IMIDAZOLE;2-Methyl-5-nitroimidazole;RP 8532;2-Methyl-4(5)nitroimidazole;24AG2WW15W;FT-0612982;Menidazole;88054-22-2;2-methyl -5-nitroimidazole;FFYTTYVSDVWNMY-UHFFFAOYSA-;BCP32918;RP-8532;Tinidazole EP Impurity A;Ornidazole Impurity B;2-Methyl-5-nitroimidazole;5-nitro-2-methylimidazole;M0922;InChI=1/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6;AM20120266;TINIDAZOLE IMPURITY A [EP IMPURITY];2-methyl-4-nitro-3H-imidazole;METHYL-4-NITROIMIDAZOLE, 2-;AKOS015912419;EN300-21470;Imidazole, 2-methyl-5-nitro-;SR-01000945053-1;Imidazole, 2-methyl-4(or 5)-nitro-;AKOS000266160;METRONIDAZOLE BENZOATE IMPURITY B [EP IMPURITY];Tinidazole impurity A;EINECS 211-790-3;Imidazole, 2-methyl-4-nitro-;SB38360;A842456;W-109594;CHEMBL134454;SCHEMBL63215;NS00007865;SR-01000945053;Q-200303;1H-Imidazole, 2-methyl-5-nitro-;MFCD00005191;ORNIDAZOLE METABOLITE M1;2-Methyl-4(5)-nitroimidazole, 99%;Metronidazole impurity A, European Pharmacopoeia (EP) Reference Standard;2-Methyl-4-nitroimidazole;MLS006011386;

标识符

InChIKey:
FFYTTYVSDVWNMY-UHFFFAOYSA-N
Inchi:
1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)
SMILES:
[O-][N+](C1=CN=C(C)N1)=O

2-Methyl-5-nitroimidazole(100215-29-0)物化性质

实验特性

  • LogP : 1.14950
  • PSA : 74.50000
  • 折射率 : 1.591
  • 沸点 : 0°C
  • 熔点 : 252-254℃
  • 闪点 : 0°C
  • 颜色与性状 : 固体
  • 密度 : 1.426

计算特性

  • 精确分子量 : 127.038
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 0
  • 同位素质量 : 127.038
  • 重原子数量 : 9
  • 复杂度 : 122
  • 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 : 0
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 0.3
  • 拓扑分子极性表面积 : 74.5A^2

2-Methyl-5-nitroimidazole(100215-29-0)生产方法和用途

用途:
甲硝羟乙唑(灭滴灵)的中间体
生产方法:
用2-甲基咪唑以混酸硝化制得。

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