三氯甲醇 | 35911-92-3

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 中文名称: 三氯甲醇
• 英文名称: trichloromethanol
• CAS: 35911-92-3
• 化学式: CHCl₃O
• 分子量: 135.377
• InChiKey: GYLIOGDFGLKMOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  三氯甲醇 以 水 为溶剂， 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Mertens, Ralf; Sonntag, Clemens von; Lind, Johan, Angewandte Chemie, 1994, vol. 106, # 12, p. 1320 - 1322

  摘要：

  DOI：
• 作为产物：
  描述：

  四氯化碳 在 水 作用下， 生成 六氯乙烷 、 三氯甲醇
  参考文献：
  名称：

  Mertens, Ralf; Sonntag, Clemens von; Lind, Johan, Angewandte Chemie, 1994, vol. 106, # 12, p. 1320 - 1322

  摘要：

  DOI：

文献信息

• Matrix Photochemistry of the Chlorocarbonyl Sulfenyl Compounds ClC(O)SY, with Y = Cl or CH₃
  作者：Rosana M. Romano、Carlos O. Della Védova、Anthony J. Downs

  DOI：10.1021/jp048756y

  日期：2004.9.1

  The photochemistries of the molecules ClC(O)SCl and ClC(O)SCH3 (in both their normal and perdeuterated forms) isolated in solid Ar or N2 matrixes at 15 K have been investigated. On the basis of evidence of the IR spectra of the matrixes, the products of irradiation with broad-band UV−visible light (200 ≤ λ ≤ 800 nm) were identified, thereby revealing quite different photochemical behaviors for the

  已经研究了在 15 K 下在固体 Ar 或 N2 基质中分离的分子 ClC(O)SCl 和 ClC(O)SCH3（以其正常形式和过氘化形式）的光化学。根据基质的红外光谱证据，鉴定了用宽带紫外-可见光（200 ≤ λ ≤ 800 nm）照射的产物，从而揭示了两种分子完全不同的光化学行为。ClC(O)SCl 受到多通道变化的影响，包括顺和反旋转异构体的相互转化，光分解产生 CO 和 SCl2，形成迄今未知的自由基 ClC(O)S•，以及随后分解该自由基产生ClCO•自由基或OCS分子。相比之下，ClC(O)SCH3 分两步分解，第一步包括分解成 CO 和 ClSCH3，第二个是氢原子从 ClSCH3 的甲基上脱离，形成分子复合物 H2CS···HCl。ClC(O)S•自由基和H2CS···HCl ha...
• Competing electron transfer, proton abstraction and nucleophilic substitutions in gas-phase reactions of (radical) anions with chloro- and bromomethanes
  作者：P. O. Staneke、G. Groothuis、S. Ingemann、N. M. M. Nibbering

  DOI：10.1002/(sici)1099-1395(199607)9:7<471::aid-poc807>3.0.co;2-i

  日期：1996.7

  The product ion distributions and rates of the gas-phase reactions of two series of (radical) anions with chloro- and bromomethanes (CH3Cl, CH2Cl2, CHCl3, CCl4, CH3Br, CH2Br2, CHBr3 and CBr4) were determined with the use of Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry. The first series consists of anions (HO-, CH3O-, C2H5O-, C3H7O- and CH3S-), for which the corresponding neutral radicals have a relatively high electron affinity (EA > 150 kJ mol(-1)). The second series consists of (radical) anions (CH2S-., CH2 = CHCH2-, CH2 = C(CH3)CH2-, C6H4-. and C6H5-), for which the corresponding neutral species have a relatively low electron affinity (EA less than or equal to 100 kJ mol(-1)). These (radical) anions react mainly with the halomethanes to afford (i) halide ions, (ii) halomethyl anions with the same number of halogen atoms as in the parent halomethane and (iii) halomethyl anions with one halogen atom less than the parent substrate. The last process involves nucleophilic attack on a halogen atom and is particularly important in the reactions with substrates containing three or four halogen atoms. The halide ions may arise by a number of different pathways, such as S(N)2 substitution, alpha-elimination, halogen attack followed by dissociation of the thus formed halomethyl anion and overall dissociative electron transfer. The S(N)2 process is held responsible for the formation of halide ions in the reactions with monohalomethanes, whereas alpha-elimination is likely to be of importance only for the reactions with trichloro- and tribromomethanes. Attack on a halogen atom followed by dissociation of the ion generated initially is likely to be important if CCl4 or CBr4 is the substrate. Electron transfer is only a dominant pathway in the reactions of the CH2S-. ion with the halomethanes. The occurrence of electron transfer in the reactions of this ion with CHCl3, CCl4 and CHBr3 is evidenced by the formation of minor amounts of stable halomethane radical anions in addition to the generation of CH2SCl- or CH2SBr- ions and abundant halide ions. The interplay between the various possible reactions is discussed on the basis of thermodynamic considerations and the rates of the overall processes.
• Stability and infrared spectra of mono-, di-, and trichloromethanol
  作者：T.J Wallington、W.F Schneider、I Barnes、K.H Becker、J Sehested、O.J Nielsen

  DOI：10.1016/s0009-2614(00)00384-5

  日期：2000.5

  CH2ClOH, CHCl2OH, and CCl3OH were prepared by UV irradiation of CH3OH/Cl-2/N-2 gas miutures. Absorption cross-sections (base e) of sigma(CH2ClOH) at 1093 cm(-1) = 6.16 X 10(-19, sigma)(CHCl2OH) at 1109 cm(-1) = 1.22 X 10(-18), and sigma(CCl3OH) at 1119 cm(-1) = 8.96 X 10(-19) cm(2) molecule(-1) were determined. The chlorinated methanols decayed with first-order kinetics to HCl and the corresponding carbonyl compound. The decay rates increased with increased contact of the chloromethanols with the reactor walls, indicating that decomposition is heterogeneous. An upper limit of 1.05 x 10(-2) s(-1) was established confirm this slow rate of homogeneous decomposition. (C) 2000 Published by Elsevier Science B.V. All rights reserved.