(Benzene)tricarbonylchromium | 12082-08-5

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机钪、钽、铊、钨、锑、镧、铅、钒、钼、铬、镱等
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (Benzene)tricarbonylchromium
• 英文别名: (η6-benzene)tricarbonylchromium
• CAS: 12082-08-5
• 化学式: 3CO*C₆H₆*Cr
• 分子量: 214.141
• InChiKey: ZIRJXFLMHFXYGW-UHFFFAOYSA-N

物化性质

• 熔点：
  163-166 °C (lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  1.29
• 重原子数：
  9.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S36/37
• 危险类别码：
  R20/21/22
• WGK Germany：
  3
• 海关编码：
  29310099
• 危险品运输编号：
  UN 2811

制备方法与用途

化学性质 

黄色晶体。熔点161.5-163℃，在130℃、0.267kPa下升华。

用途 

用于有机合成。

生产方法 

将苯和六羰基铬在溶剂2-甲基吡啶中反应得到。反应系统应确保无氧，回流反应达96h，产率91%。

反应信息

• 作为反应物：
  描述：

  正丁基锂 、 (Benzene)tricarbonylchromium 以 四氢呋喃 为溶剂， 反应 0.5h， 以80%的产率得到丁苯
  参考文献：
  名称：

  Arene-metal complexes. 12. Reaction of (.eta.6-benzene)tricarbonylchromium with n-butyllithium

  摘要：

  DOI：

  10.1021/jo01301a001
• 作为产物：
  描述：

  六羰基铬 在 苯 作用下， 以 苯 为溶剂， 生成 (Benzene)tricarbonylchromium
  参考文献：
  名称：

  Nayak, Suresh K.; Burkey, Theodore J., Organometallics, 1991, vol. 10, # 10, p. 3745 - 3750

  摘要：

  DOI：

文献信息

• Coordination of molecular nitrogen and hydrogen to (.eta.6-C6H6)Cr(CO)x and (.eta.5-C5H5)Mn(CO)x (x = 2 and 1) in the gas phase
  作者：Youfeng Zheng、Wenhua Wang、Jingu Lin、Yongbo She、Kejian Fu

  DOI：10.1021/j100203a045

  日期：1992.11

  Time-resolved infrared absorption spectroscopy is used to study the coordination reactions of N2 and H-2 with photolytically generated coordinatively unsaturated species (eta6-C6H6)Cr(CO)x and (eta5-C5H5)Mn(CO)x (x = 2 and 1) in the gas phase. Additions of N2 and H-2 to (eta6-C6H6)Cr(CO)2 and (eta5-C5H5)Mn(CO)2 form corresponding molecular nitrogen and hydrogen complexes. Additions of N2 and H-2 to (eta6-C6H6)Cr(CO) are confirmed although no product absorption is observed. By comparison, reactions of N2 and H-2 with (eta5-C5H5)Mn(CO) are not observed, presumably due to spectral overlap. The rate constants for reactions of N2 and H-2 With (eta6-C6H6)Cr(CO)2 and (eta5-C5H5)Mn(CO)2 as well as with (eta6-C6H6)Cr(CO) are measured, and an upper limit for the rate constants for reactions of N2 and H-2 with (eta5-C5H5)Mn(CO) is estimated. Significant differences are observed for the rate constants for reactions of different species and discussed with respect to spin-allowed versus disallowed processes.
• UV laser photolysis of (.eta.6-benzene)tricarbonylchromium: time-resolved infrared studies of gas-phase (.eta.6-C6H6)Cr(CO)x (x = 2 and 1)
  作者：Wenhua Wang、Pei Jin、Yanwei Liu、Yongbo She、Kejian Fu

  DOI：10.1021/j100182a047

  日期：1992.2

  The time-resolved infrared absorption spectra of the coordinatively unsaturated (eta(6)-C6H6)Cr(CO)x (x = 2 and 1) species generated via UV laser photolysis of the gas-phase (eta(6)-C6H6)Cr(CO)3 are presented and discussed. The photofragments produced upon 355- and 266-nm photolysis are identified. (eta(6)-C6H6)Cr(CO)2 is the predominant product upon 355-nm photolysis, while both (eta(6)-C6H6)Cr(CO)2 and (eta(6)-C6H6)Cr(CO) are produced upon 266-nm photolysis with a ratio of (eta(6)-C6H6)Cr(CO)2;(eta(6)-C6H6)Cr(CO) of about 2:5. The rate constants for reactions of (eta(6)-C6H6)Cr(CO)2 and (eta(6)-C6H6)Cr(CO) with CO are measured and found to be (6.3 +/- 0.3) x 10(12) and (1.4 +/- 0.2) x 10(12) cm3 mol-1 s-1, respectively. The rate constant for reaction of (eta(6)-C6H6)Cr(CO)2 with CO lies between the corresponding values for spin-allowed and spin-disallowed reactions of other coordinatively unsaturated metal carbonyl species with CO.