硼-10B 三氟化物二乙基醚 | 312619-25-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 硼-10B 三氟化物二乙基醚
• 中文别名: 三氟化硼-10B二乙醚；硼-10B三氟化物二乙基醚；N-(4-氨基-2-羟基苯基)-2,2,3,3,4,4,4-七氟丁酰胺
• 英文名称: Ethoxyethane;trifluoro(10B)borane
• CAS: 312619-25-3
• 化学式: BF₃*C₄H₁₀O
• 分子量: 141.118
• InChiKey: KZMGYPLQYOPHEL-HCMAANCNSA-N

物化性质

• 沸点：
  126 °C(lit.)
• 密度：
  1.114 g/mL at 25 °C(lit.)
• 闪点：
  48 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.92
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 安全说明：
  S16,S26,S36/37/39,S45
• 危险类别码：
  R14,R10,R34,R23/24/25
• 危险品运输编号：
  UN 2604 8/PG 1

反应信息

• 作为反应物：
  描述：

  硼-10B 三氟化物二乙基醚 、 lithium aluminium tetrahydride 生成 <10B>B2H6
  参考文献：
  名称：

  Potential constants of borane carbonyl

  摘要：

  The vibrational spectra of several isotopic species of BH3CO in neon matrices at 10 °K have been observed. A number of combination bands have also been observed, leading to an assignment of most of the fundamental harmonic frequencies of these isotopic species. A least squares normal coordinate treatment, without constraints, has estimated a set of potential constants. We can conclude that the CO bond in BH3CO is slightly stronger than that of free CO. The interaction coordinates suggest that unimolecular dissociation of the B–C bond proceeds initially toward BH−3+CO+ but reverts to BH3+CO before dissociation.

  DOI：

  10.1063/1.437505
• 作为产物：
  描述：

  生成 硼-10B 三氟化物二乙基醚
  参考文献：
  名称：

  Potential constants of borane carbonyl

  摘要：

  The vibrational spectra of several isotopic species of BH3CO in neon matrices at 10 °K have been observed. A number of combination bands have also been observed, leading to an assignment of most of the fundamental harmonic frequencies of these isotopic species. A least squares normal coordinate treatment, without constraints, has estimated a set of potential constants. We can conclude that the CO bond in BH3CO is slightly stronger than that of free CO. The interaction coordinates suggest that unimolecular dissociation of the B–C bond proceeds initially toward BH−3+CO+ but reverts to BH3+CO before dissociation.

  DOI：

  10.1063/1.437505

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Na: SVol.3, 3.7, page 1233 - 1245
  作者：

  DOI：——

  日期：——
• Kury, J. W.; Jolly, W. L., Nuclear science abstracts, UCRL-4432 (1954) 1/9, 1955, vol. 9, p. 3055
  作者：Kury, J. W.、Jolly, W. L.

  DOI：——

  日期：——
• Potential constants of borane carbonyl
  作者：Llewellyn H. Jones、Robert C. Taylor、Robert T. Paine

  DOI：10.1063/1.437505

  日期：——

  The vibrational spectra of several isotopic species of BH3CO in neon matrices at 10 °K have been observed. A number of combination bands have also been observed, leading to an assignment of most of the fundamental harmonic frequencies of these isotopic species. A least squares normal coordinate treatment, without constraints, has estimated a set of potential constants. We can conclude that the CO bond in BH3CO is slightly stronger than that of free CO. The interaction coordinates suggest that unimolecular dissociation of the B–C bond proceeds initially toward BH−3+CO+ but reverts to BH3+CO before dissociation.