2-亚硝基乙醇 | 93682-11-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-亚硝基乙醇
• 英文名称: β-nitroso-ethanol
• 英文别名: 2-nitrosoethanol；Ethanol, 2-nitroso-
• CAS: 93682-11-2
• 化学式: C₂H₅NO₂
• 分子量: 75.0672
• InChiKey: GANMTNJMVXKHNT-UHFFFAOYSA-N

物化性质

• 沸点：
  147.4±23.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  5
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  49.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  乙烯 在 亚硝酸 作用下， 以 various solvent(s) 为溶剂， 反应 1.5h， 生成 2-亚硝基乙醇
  参考文献：
  名称：

  Photolysis of the C2H4–HONO complex in low temperature matrices: formation of 2-nitrosoethanol

  摘要：

  Photochemistry of C2H4 (HONO)-H-. . . complexes in argon matrices has been investigated using lambda > 340 mn radiation of a medium pressure mercury arc. IR spectra were recorded after various periods of photolysis. The photolysis reaction was found to lead to formation of 2-nitrosoethanol that was identified for the first time. Three groups of bands showing different behavior during photolysis process and after matrix annealing were assigned to three different conformers of 2-nitrosoethanol molecule. The experimental data are supported by ab initio calculations. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(03)00329-6

文献信息

• Reactivity of Nitric Oxide with Simple Short-Lived Radicals in Aqueous Solutions
  作者：Gidon Czapski、Jerzy Holcman、Benon H. J. Bielski

  DOI：10.1021/ja00104a028

  日期：1994.12

  nitric oxide (NO) with (SCN)[sub 2][sup [minus]], Br[sub 2][sup [minus]], CO[sub 2][sup [minus]], CO[sub 3][sup [minus]], and ethyl alcohol radicals were studied by the pulse radiolysis technique. The rate constants for the reaction of NO with these radicals are k[NO + (SCN)[sub 2][sup [minus]]] = (4.3 [+-] 0.1) x 10[sup 9] M[sup [minus]1] s[sup [minus]1], k[NO + CO[sub 2][sup [minus]]] = (2.9 [+-] 0

  一氧化氮 (NO) 与 (SCN)[sub 2][sup [minus]]、Br[sub 2][sup [minus]]、CO[sub 2] 反应产物的动力学参数和光谱特性[sup [minus]]、CO[sub 3][sup [minus]] 和乙醇自由基通过脉冲辐解技术进行了研究。NO 与这些自由基反应的速率常数为 k[NO + (SCN)[sub 2][sup [minus]]] = (4.3 [+-] 0.1) x 10[sup 9] M[sup [minus] ]1] s[sup [minus]1], k[NO + CO[sub 2][sup [minus]]] = (2.9 [+-] 0.5) x 10[sup 9] M[sup [minus]1 ] s[sup [minus]1], k[NO + CO[sub 3][sup [minus]]] = (3.5 [+-] 0.5)
• Ozaki, Shigeko; Nishiguchi, Susumu; Masui, Masaichiro, Chemical and pharmaceutical bulletin, 1984, vol. 32, # 7, p. 2609 - 2616
  作者：Ozaki, Shigeko、Nishiguchi, Susumu、Masui, Masaichiro

  DOI：——

  日期：——
• Photolysis of the C2H4–HONO complex in low temperature matrices: formation of 2-nitrosoethanol
  作者：Adriana Olbert-Majkut、Zofia Mielke、Konstantin G Tokhadze

  DOI：10.1016/s0022-2860(03)00329-6

  日期：2003.8

  Photochemistry of C2H4 (HONO)-H-. . . complexes in argon matrices has been investigated using lambda > 340 mn radiation of a medium pressure mercury arc. IR spectra were recorded after various periods of photolysis. The photolysis reaction was found to lead to formation of 2-nitrosoethanol that was identified for the first time. Three groups of bands showing different behavior during photolysis process and after matrix annealing were assigned to three different conformers of 2-nitrosoethanol molecule. The experimental data are supported by ab initio calculations. (C) 2003 Elsevier B.V. All rights reserved.