二氯氟胺 | 17417-38-8

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 其他非金属卤化物
• 中文名称: 二氯氟胺
• 英文名称: dichlorofluoroamine
• 英文别名: Dichlorfluoramin
• CAS: 17417-38-8
• 化学式: Cl₂FN
• 分子量: 103.911
• InChiKey: DYAUTDTXTDZNOO-UHFFFAOYSA-N

物化性质

• 沸点：
  -3--2 °C
• 密度：
  1.623±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  二氯氟胺 以 gaseous matrix 为溶剂， 生成 nitrene chloride
  参考文献：
  名称：

  淬灭速率常数的NCI（B 1 Σ +）和PCL（B 1 Σ +）和的NCI（B的辐射寿命1 Σ +），PCL（B 1 Σ +）和PBR（B 1 Σ +）

  摘要：

  的NCI（B 1 Σ +），PCL（B 1 Σ +）和PBR（B 1 Σ +）分子已经在流动反应器通过使NFCl稀流已经产生2，PCL 3和PBR 3在他通过DC放电和用于骤冷的NCI（b的总速率常数1 Σ +）和PCL（b 1 Σ +由几个双原子和小多原子分子）已经在300K测得除去O 2，NO 2和卤素分子的速率常数在10 –13 – 10 –14 cm3个分子–1 s –1范围。对试剂的性质的速率常数的依赖性表明，用于PCL（b）和的NCI（b）中占主导地位的猝灭机制是电子对振动（E-V）与所述一个能量转移1个Δ状态作为产品，正如对于NF（b的反应1 Σ +）和PF（b 1 Σ +）。速率常数的淬火的NCI（B的1 Σ +）和PCL（B 1 Σ +通过O） 2是1.0×10 -12和⩽10 -15厘米3分子-1小号-1，分别与在符合电子到电子（E-E）与所述最终状态是能量转移Ô 2（B

  DOI：

  10.1039/ft9959102979
• 作为产物：
  描述：

  氯叠氮化物 、 sodium fluoride 以 neat (no solvent) 为溶剂， 生成 二氯氟胺
  参考文献：
  名称：

  Sukornick, Bernard; Stahl, Richard F.; Gordon, Joseph, Inorganic Chemistry, 1963, vol. 2, # 4, p. 875 - 875

  摘要：

  DOI：

文献信息

• Synthesis of NF2Cl and NFCl2 using NH4F/nHF and ClF3
  作者：Tatsuo Miyazaki、Isamu Mori、Tomonori Umezaki、Susumu Yonezawa

  DOI：10.1016/j.jfluchem.2018.03.010

  日期：2018.6

  rates (20, 50 and 100 standard cc min−1). From a direct reaction, NF2Cl and NFCl2 gases were obtained as products. With high NF2Cl and NFCl2 selectivity for N2, such as higher than 90% selectivity as the nitrogen containing molecule base at temperatures below 298 K, an n value of around 2.2–2.3 was obtained. The selectivity of NF2Cl and NFCl2 decreased to less than 70% at temperatures higher than 318 K

  NH之间的反应4 F / Ñ HF和气态的ClF 3在各种在280-320的K的温度下进行了检查ñ -值（Ñ 在该NH = 2.2，2.3，2.4，2.7，2.8，3.0，3.1和4.0）4 F / n HF是一种熔融盐，具有三种ClF 3气体流速（20、50和100标准cc min -1）。通过直接反应，获得了作为产物的NF 2 Cl和NFCl 2气体。NF 2 Cl和NFCl 2对N 2的选择性高例如，在低于298 K的温度下，作为含氮分子碱的选择性高于90％时，n值约为2.2–2.3。在高于318 K的温度下，由于N 2副产物的量增加，NF 2 Cl和NFCl 2的选择性降至70％以下。通过以[NH 3 ClF 2 ] +（FH）n F-作为中间体形成的反应机理，可以得到高选择性的NF 2 Cl和NFCl 2。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Na: SVol.3, 1.2.3, page 907 - 911
  作者：

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cl: SVol.B2, 77, page 488 - 489
  作者：

  DOI：——

  日期：——
• Infrared chemiluminescence studies of the atomic hydrogen + chlorofluoroamine (H + NFCl2) and H + NFCl reactions
  作者：E. Arunan、C. P. Liu、D. W. Setser、J. V. Gilbert、R. D. Coombe

  DOI：10.1021/j100053a024

  日期：1994.1

  The primary and secondary reactions in the H + NFCl2 system have been studied by infrared chemiluminescence in a fast flow reactor at 300 K. The primary reaction is exclusively Cl atom abstraction to give HCl(v=0-4) + NFCl with a total rate constant of (1.9 +/- 0.4) x 10(-11) cm(3) molecule(-1) s(-1) and an inverted vibrational distribution of P-0-P-4 = 9:20:32:27:12. The rate constant for HF formation from H + NFCl was estimated as (0.9 +/- 0.4) X 10(-11) cm(3) molecule(-1) s(-1), and the HF vibrational distribution, P-0-P-3 = 42:34: 18:6, is characteristic of unimolecular HF elimination reactions. These data for the HF + NCl(a) product channel from the H + NFCl reaction are compared to earlier studies, which provided information about the HCl + NF(a) product channel. The latter seems to be the more important, and the total rate constant for H + NFCl is about 4 x 10(-11) cm(3) molecule(-1) s(-1) at 300 K. The dynamics of the H + NFCl reaction are discussed and compared to the H + NF2 reaction. A small number of experiments also were done with the H + NF2Cl reaction system.
• Energetics of Halogen Amine Reactions with Triplet Metastables:  NFCl₂ with Ar(³P_0,2), He(2³S), and N₂(³Σ⁺_u) and NF₂Cl and NCl₃ with Ar(³P_0,2)
  作者：Yevgeniya I. Gershanovich、Julanna V. Gilbert

  DOI：10.1021/jp961790v

  日期：1997.1.1

  The collisions of NFCl2 with the metastable species Ar(P-3(0.2)), He(2(3)S, 2(1)S), and N-2((3) Sigma(u)(+)) and of NF2Cl and NCl3 with Ar(P-3(0.2)) were carried out using a discharge flow system, and diatomic product channels were identified on the basis of emission from the fragments. The mechanisms for these reactions were determined from the emission spectra of the products, the energy available in the reacting species and released in the fragments, and the conservation of spin angular momentum. To carry out the energy analysis, the Delta H-form's of NF2Cl, NFCl2, and NCl3 were calculated using G1 and G2 methods with Gaussian 94, yielding average theoretical values of -5.3, 23.0, and 48.3 kcal/mol, respectively. These values are compared to estimated experimental Delta H-form's which have been reported for NF2Cl and NCl3.