溴二氯乙酰氯 | 147595-88-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 中文名称: 溴二氯乙酰氯
• 英文名称: bromodichloroacetyl chloride
• 英文别名: Brom-dichlor-acetylchlorid；2-Bromo-2,2-dichloroacetyl chloride
• CAS: 147595-88-8
• 化学式: C₂BrCl₃O
• 分子量: 226.284
• InChiKey: QHPNJRUTDPGABF-UHFFFAOYSA-N

物化性质

• 沸点：
  132.7±35.0 °C(Predicted)
• 密度：
  2.133±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  7
• 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：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  哌啶 、 溴二氯乙酰氯 以 乙醚 为溶剂， 以65%的产率得到bromodichloroacetopiperidide
  参考文献：
  名称：

  Shchepin, V. V.; Efremov, D. I.; Petukhov, S. A., Russian Journal of General Chemistry, 1995, vol. 65, # 1.2, p. 105 - 107

  摘要：

  DOI：
• 作为产物：
  描述：

  1-ethoxy-2-bromo-1,2-dichloro-ethene 在 氯 作用下， 生成 溴二氯乙酰氯
  参考文献：
  名称：

  Smith, Journal of the Chemical Society, 1927, p. 1101

  摘要：

  DOI：

文献信息

• Temperature-dependent rate coefficient measurements for the reaction of bromine atoms with trichloroethene, ethene, acetylene, and tetrachloroethene in air
  作者：Bj�rn Ramacher、John J. Orlando、Geoffrey S. Tyndall

  DOI：10.1002/1097-4601(200103)33:3<198::aid-kin1014>3.0.co;2-z

  日期：2001.3

  In this article, rate coefficients for the reaction of Br atoms with a series of unsaturated species (trichloroethene, k(1); ethene, k(2); acetylene, k(3); and tetrachloroethene, k(4)) are reported in 700 Torr air over the temperature range 228-298 K. The data were obtained in a temperature-regulated environmental chamber/FTIR spectrometer system, using standard relative rate techniques, with the reaction of Br with CH2O and CH3CHO as the reference reactions. Room-temperature values for k(1) through k(4) were found to be 1.56 x 10(-13), 1.23 x 10(-13) 2.86 x 10(-14), and <1.2 x 10(-16) cm(3) molecule(-1) s(-1), respectively, in reasonable accord with previously available data. At 240 K, values of k(1) = 1.77 x 10(-12), k(2) = 5.76 x 10(-13), k(3) = 3.97 x 10(-14), and k(4) = 3.22 x 10(-15) cm(3) molecule(-1) s(-1) are reported. These k(2) and k(3) values are 2-3 times lower than those currently in use, which are obtained by extrapolation of previous measurements made over the range 298-350 K [Barnes et at.. 1989]. An investigation of the mechanism of the Br-atom-initiated oxidation of acetylene, trichloroethene, and tetrachloroethene was also conducted as a function of temperature. Although no temperature dependence to the product yields was observed for any of the systems studied, the product distributions were found to be altered by the presence of NOx in the case of trichloroethene and tetrachloroethene. An anomalously low rate coefficient for the reaction of Br with glyoxal (HC(O)CHO, a product of acetylene oxidation), k(17) = 1.1 x 10(-14) cm(3) molecule(-1) s(-1), is also reported. (C) 2001 John Wiley & Sons, Inc.