2-chloro-2-methylpropyl radical | 41895-43-6

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 英文名称: 2-chloro-2-methylpropyl radical
• 英文别名: 2-chloro-2-methyl-propyl；β-Chlor-tert.-butyl-Radikal
• CAS: 41895-43-6
• 化学式: C₄H₈Cl
• 分子量: 91.5605
• InChiKey: YMURGWAEMNWQJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.84
• 重原子数：
  5.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  氯代叔丁烷 在 大鼠1,25-二羟基维生素D(1,25(OH)2D)试剂盒 作用下， 以 gaseous matrix 为溶剂， 24.85 ℃ 、191.98 Pa 条件下， 生成 2-chloro-2-methylpropyl radical 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Kinetic study of OH radical reactions with chlorobutane isomers at 298K

  摘要：

  The rate constant of hydroxyl radical reactions with the four chlorobutane isomers have been determined using a fast flow reactor. The values in cm(3) molecule(-1) s(-1) are: k(1) (OH + 1-chlorobutane) = (2.00 +/- 0.15) x 10(-12), k(2) (OH + 2-chlorobutane) = (2.45 +/- 0.30) x 10(-12), k(3) (OH + 1-chloro-2-methylpropane) = (1.95 +/- 0.20) x 10(-12), k(4) (OH + 2-chloro-2-methylpropane)= (0.45 +/- 0.10) x 10(-12). The quoted errors include both statistical deviations (2 sigma generally < 5%) and estimated systematic uncertainties (10-20%). Adjustments of structure activity relationships are suggested. (C) 1998 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0009-2614(98)01058-6

文献信息

• Kinetic study of OH radical reactions with chlorobutane isomers at 298K
  作者：J.C. Loison、L. Ley、R. Lesclaux

  DOI：10.1016/s0009-2614(98)01058-6

  日期：1998.11

  The rate constant of hydroxyl radical reactions with the four chlorobutane isomers have been determined using a fast flow reactor. The values in cm(3) molecule(-1) s(-1) are: k(1) (OH + 1-chlorobutane) = (2.00 +/- 0.15) x 10(-12), k(2) (OH + 2-chlorobutane) = (2.45 +/- 0.30) x 10(-12), k(3) (OH + 1-chloro-2-methylpropane) = (1.95 +/- 0.20) x 10(-12), k(4) (OH + 2-chloro-2-methylpropane)= (0.45 +/- 0.10) x 10(-12). The quoted errors include both statistical deviations (2 sigma generally < 5%) and estimated systematic uncertainties (10-20%). Adjustments of structure activity relationships are suggested. (C) 1998 Elsevier Science B.V. All rights reserved.