2-氯-5-硝基苯磺酸钾 | 6671-52-9

• 物质功能分类: 化学试剂 - 有机试剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氯-5-硝基苯磺酸钾
• 英文名称: potassium 2-chloro-5-nitrobenzene sulfonate
• 英文别名: potassium 2-chloro-5-nitrobenzene sulphonate；2-chloro-5-nitro-benzenesulfonic acid ; potassium-compound；2-Chlor-5-nitro-benzolsulfonsaeure; Kalium-Verbindung；2-Chlor-5-nitro-benzolsulfonsaeure; Kalium-Salz；Potassium;2-chloro-5-nitrobenzenesulfonate；potassium;2-chloro-5-nitrobenzenesulfonate
• CAS: 6671-52-9
• 化学式: C₆H₃ClNO₅S*K
• 分子量: 275.711
• InChiKey: LVCBJLCNUCMGNV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.84
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2904909090

反应信息

• 作为反应物：
  描述：

  2-氯-5-硝基苯磺酸钾 生成 2-amino-3,5-dinitro-benzenesulfonic acid
  参考文献：
  名称：

  DE116339

  摘要：

  公开号：

文献信息

• Unusual coordination modes of ligand 2-chloro-5-nitrobenzene sulfonate: Synthesis, spectroscopic characterization, thermal and X-ray structural studies of metal 2-chloro-5-nitrobenzene sulfonate complexes, metal = Tl(I), Cu(II), Ag(I) and Pb(II)
  作者：Raj Pal Sharma、Santosh Kumar、Paloth Venugopalan、Thammarat Aree、Przemysław Starynowicz

  DOI：10.1016/j.molstruc.2015.11.020

  日期：2016.3

  15°, γ = 78.18°, V = 945.6 A3, Z = 1. X-ray structure determination revealed that complexes 1 and 3 are polymeric in nature, whereas complex 2 has ionic structure. Remarkably, cnb ligand is coordinating through sulfonato oxygen atoms and nitro oxygen atoms in thallium complex but coordinates through sulfonato oxygen atoms and chloro group in silver complex, thereby showing the flexible/versatile coordinating

  摘要 使用金属离子铊(I)、铜(II)、银(I)和铅(II)和配体2-氯-5-硝基苯磺酸盐(cnb)，形成四种新型金属配合物[Tl(cnb)]n(1) , [Cu(en)2(H2O)2](cnb)2.2H2O(2)，其中 en = 乙二胺，[Ag(cnb)]n(3) 和 [Pb(cnb)2]n(4)通过元素分析、光谱方法（FT-IR、多核 NMR）、单晶 X 射线结构分析（4 种除外）和 TGA 分析合成和表征。配合物 1 和 3 在具有晶胞尺寸的 P21/c 空间群的单斜晶系中结晶，a = 13.849(2) A, b = 9.449(2) A, c = 7.506(2)A, β = 105.3°, V = 947.1 A3, Z = 4 和 a = 15.197(13)A, b = 5.136(4)A, c = 24.058(18)A, β = 106.86°, V = 1797.1 A3
• Second sphere coordination in binding large size anions: Synthesis, characterisation and X-ray structure determination of [trans-Co(en)2Cl2]C6NO2SO3H3Cl and [trans-Co(en)2Cl2]2S4O6
  作者：Raj Pal Sharma、Rajni Sharma、Ritu Bala、L. Pretto、V. Ferretti

  DOI：10.1016/j.molstruc.2006.02.054

  日期：2006.8

  and 2:1 molar ratio, respectively. The newly synthesized complex salts were characterized on the basis of elemental analyses and spectroscopic techniques (IR, UV/visible, 1H and 13C NMR). Single crystal X-ray structure determinations revealed that I crystallizes in the monoclinic space group P21/c and II crystallizes in the triclinic space group P 1 ¯ . Supramolecular hydrogen bonding networks between

  摘要 为了探索 [trans-Co(en)2Cl2]+ 作为大尺寸阴离子、2-氯,5-硝基苯磺酸根和连四硫酸根离子的阴离子受体，[trans-Co(en)2Cl2]C6NO2SO3H3Cl 的绿色单晶I 和 [trans-Co(en)2Cl2]2S4O6 II 是通过将单独溶解的反式二氯双（乙二胺）钴（III）氯化物与 2-氯，5-硝基苯磺酸和连四硫酸的金属盐在水溶液中缓慢混合而获得的分别为 1:1 和 2:1 摩尔比的培养基。在元素分析和光谱技术（IR、UV/可见光、1H 和 13C NMR）的基础上对新合成的络盐进行了表征。单晶 X 射线结构测定表明 I 在单斜空间群 P21/c 中结晶，而 II 在三斜空间群 P 1 中结晶。离子基团之间的超分子氢键网络：2-氯，5-硝基苯磺酸盐或连四硫酸盐的氧原子和配位乙二胺分子的NH基团，即除了静电引力之外，通过第二球配位的N-H⋯O-相互作用已被观察到。这表明
• Ullmann; Herre, Justus Liebigs Annalen der Chemie, 1909, vol. 366, p. 112
  作者：Ullmann、Herre

  DOI：——

  日期：——
• Effect of heterocyclic nitrogen donor ligands on coordination behavior of weakly coordinating arylsulfonate: Synthesis, characterization and antimicrobial activities of [Cu(β-pic)4(2-Cl-5-nitrobenzenesulfonate)2](methanol) and [Cu(γ-pic)4(2-Cl-5 nitrobenzenesulfonate)2]
  作者：Raj Pal Sharma、Santosh Kumar、Paloth Venugopalan、Vijay Singh Gondil、Sanjay Chhibber、Julia Jezierska、Valeria Ferretti

  DOI：10.1016/j.ica.2016.04.049

  日期：2016.8

  Two new copper(II) complexes [Cu(beta-pic)(4)(2-Cl-5-nitrobenzenesulfonate)(2)](CH3OH) (1) and [Cu(gamma-pic)(4)(2-Cl-5-nitrobenzenesulfonate)(2)] (2) have been synthesized by reacting appropriate starting materials in methanol: water (v/v 4: 1). Both newly synthesized complexes have been characterized on the basis of elemental analyses, spectroscopic techniques (FT-IR, UV-Vis, EPR) and single crystal X-ray structure determination (complex 1). The structural analysis of complex 1 revealed the existence of unusual coordination behavior of arylsulfonate towards copper(II) center in presence of heterocyclic N-donor ligands resulting in elongated octahedral geometry around the metal. The EPR spectroscopy of complexes 1 and 2 unambiguously proved a similar coordination of four picolines in Cu(II) xy plane. Antimicrobial studies of both the complexes 1 and 2 were performed against Gram positive, MRSA (Methicillin-Resistant Staphylococcus aureus) as well as Gram negative (Escherichia coli, Klebsiella pneumoniae) bacteria. The activity was investigated by using both Agar well diffusion as well as MIC assay. Both the complexes show significant bactericidal activity against all the pathogenic strains in comparison to ampicillin, a broad spectrum antibiotic against Gram positive and Gram negative bacteria. (C) 2016 Elsevier B. V. All rights reserved.
• DE116339
  申请人：——

  公开号：——

  公开（公告）日：——