mer-[Fe(III)Cl3(3-methylpyrazole)3] | 132510-01-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: mer-[Fe(III)Cl3(3-methylpyrazole)3]
• 英文别名: 5-methyl-1H-pyrazole;trichloroiron
• CAS: 132510-01-1；1400765-98-1；33616-28-3
• 化学式: C₁₂H₁₈Cl₃FeN₆
• 分子量: 408.521
• InChiKey: IRGKGJPLKDTZES-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  iron(III) chloride 、 3-甲基吡唑 以 二氯甲烷 为溶剂， 反应 10.0h， 以60%的产率得到mer-[Fe(III)Cl3(3-methylpyrazole)3]
  参考文献：
  名称：

  Structural and 57Fe-Mössbauer characterization of mononuclear ferrous and ferric pyrazole complexes

  摘要：

  The reactions of FeX3 (X = Cl and Br) and pz*H (pz*H = pyrazole, or substituted pyrazole) in CH2Cl2 have led to three types of mononuclear complexes: mer-[FeX3(pz*H)(3)], trans-[FeX2(pz*H)(4)](-) and trans-[FeX2(pz*H)(4)]. The latter type, containing Fe-II-centers results from spontaneous reduction of the Fe-III starting material. The X-ray crystal structures of eleven such complexes and the Fe-57-Mossbauer spectra of three of them are reported. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.07.052

文献信息

• Syntheses and structures of iron(III) complexes of simple N-donor ligands
  作者：Simon A Cotton、Vilius Franckevicius、John Fawcett

  DOI：10.1016/s0277-5387(02)01137-3

  日期：2002.9

  Syntheses and structures of mer-[FeCl3(pyrazole)(3)] (1), mer-[FeCl3(N-methylimidazole)(3)] (2), mer-[FeCl3(terpy)] (3) (terpy = 2,2': 6',2"-terpyridine), mer-[FeCl3(tptz)] (4) (tptz=2,4,6-tris(2-pyridyl)-1,3,5-triazine) and trans -[FeCl2(3-methylpyrazole)(4)]Cl (5) are reported. The structures demonstrate intramolecular N-H...Cl; imramolecular C-H... Cl; and intermolecular N-H...Cl interactions. Syntheses and analytical data are also reported for [FeCl3(imidazole)(4)] (6), but crystals suitable for X-ray study were not obtained. (C) 2002 Elsevier Science Ltd. All rights reserved.