氯硝基乙酰胺 | 14011-20-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 氯硝基乙酰胺
• 英文名称: chloronitroacetamide
• 英文别名: Chlor-nitro-acetamid；2-chloro-2-nitroacetamide
• CAS: 14011-20-2
• 化学式: C₂H₃ClN₂O₃
• 分子量: 138.51
• InChiKey: LRWKAZGPAWDKAE-UHFFFAOYSA-N

物化性质

• 熔点：
  67.5 °C
• 沸点：
  288.9±25.0 °C(Predicted)
• 密度：
  1.594±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  88.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  氯硝基乙酰胺 反应 0.25h， 以3.18 g的产率得到草酰胺
  参考文献：
  名称：

  Decomposition products of halonitroacetic acid derivatives

  摘要：

  The halonitro group O2NCHX of chloro- and bromonitroacetic acid derivatives underwent reduction to H2NCO upon boiling. The same derivatives decomposed to oxalic acid upon long storage. Likely chemical transformation pathways are discussed.

  DOI：

  10.1007/bf00863925
• 作为产物：
  描述：

  氯硝基乙酰氯 在 盐酸 、 ammonium hydroxide 作用下， 生成 氯硝基乙酰胺
  参考文献：
  名称：

  Methods of preparation of halonitroacetic acid derivatives and study of the fungicidal activity of their amides and anilides on Sclerotinia sclerotiorum

  摘要：

  Anilides (II)-(XIII), (XV), (XVI), (XIX), and chloronitroacetamide (XVIII) were obtained in a yield of 38-90% by ammonolysis of the corresponding dichloro- (I) and chloronitroacetyl chlorides (XIV). Dichloronitroacetanilides (II), (V), ethyl (XX), propyl (XXI) esters and amide of dichloronitroacetic acid (XXII) were obtained by chlorination of anhydrous ammonium and sodium salts by sulfuryl chloride in absolute ether. Bromination of anhydrous salts of bromo- and chloronitroacetic acids proceeds readily in absolute alcohol. The yields of the bromination [(XXIII)-(XXVIII)] and chlorination products were 49-99%. Results are given of tests of some of the amides and anilides obtained for the inhibition of growth and development of the Sclerotinia sclerotiorum fungus.

  DOI：

  10.1007/bf00958561

文献信息

• Fluoronitroaliphatics. III. Preparation of some negatively substituted halonitromethanes
  作者：Horst G. Adolph、Robert E. Oesterling、Michael E. Sitzmann

  DOI：10.1021/jo01275a073

  日期：1968.11
• Reduction of ammonium halonitroacetate derivatives by thionyl chloride
  作者：A. I. Yurtanov、A. N. Chekhlov、I. V. Martynov

  DOI：10.1007/bf00953447

  日期：1988.10
• YURTANOV, A. I.;ANUFRIEV, V. I.;KULISH, E. V.;MIXAJLYUCHENKO, I. G.;SHULY+, IZV. AN CCCP. CEP. XIM.,(1991) N, S. 823-830
  作者：YURTANOV, A. I.、ANUFRIEV, V. I.、KULISH, E. V.、MIXAJLYUCHENKO, I. G.、SHULY+

  DOI：——

  日期：——
• YURTANOV A. I.; MARTYNOV I. V., IZV. AN CCCP. CEP. XIM.,(1986) N 7, 1572-1575
  作者：YURTANOV A. I.、 MARTYNOV I. V.

  DOI：——

  日期：——
• CHEXLOV, A. N.;MARTYNOV, I. V., IZV. AN CCCP. CEP. XIM.,(1988) N 10, S. 2431-2432
  作者：CHEXLOV, A. N.、MARTYNOV, I. V.

  DOI：——

  日期：——