硝酰氟 - CAS号 10022-50-1

物化性质

熔点：

-166.0°
沸点：

bp -72.4°
密度：

(liq at bp) 1.796; d (solid) 1.924
溶解度：

与H2O反应
稳定性/保质期：

气体和液体的NO₂F都是无色的，而固体时呈白色。其熔点为-166.0℃，沸点为-72.4℃。该物质能与水发生水解反应，并且可以与大多数金属和非金属反应。此外，它还与乙醚、苯等化合物剧烈反应。

计算性质

辛醇/水分配系数(LogP)：

0.6
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：

45.8
氢给体数：

0
氢受体数：

3

ADMET

毒理性

副作用

Dermatotoxin - 皮肤烧伤。

Dermatotoxin - Skin burns.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

危险等级：

2.3

SDS

SDS：efd8a3ca2c4a694bc376fd1a0b580584

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制备方法与用途

合成制备方法如下：

[ \text{N}_2\text{O}_5 + \text{BF}_3 + \text{HF} → \text{NO}_2[\text{BF}_4] + \text{HNO}_3 ]

[ \text{NO}_2[\text{BF}_4] + \text{NaF} → \text{NO}_2\text{F} + \text{NaBF}_4 ]

将等量的干燥氟化氢和三氟化硼通入N₂O₅的硝基甲烷溶液中，生成氟硼酸硝酰并沉淀出来。隔绝湿气过滤出结晶。随后按照书中的方法，在240℃下加热NO₂[BF₄]与NaF的混合物制备NOF。

固体N₂O₅易分解，建议先用N₂O₅和BF₃反应生成N₂O₅·BF₃化合物。此化合物在室温下不与湿气接触时是稳定的。将其溶解于硝基甲烷中，再加入干燥的氟化氢。

反应信息

作为反应物：

描述：

硝酰氟在氢化铝作用下，生成亚硝酰氟

参考文献：

名称：

Kinetics and Mechanisms of the Thermal Gas-Phase Reactions of CF₃OF and CF₃OOCF₃ with NO₂

摘要：

The kinetics of the reactions of CF3OF and CF3OOCF3 with NO2 have been investigated using a conventional static system. The reaction between CF2OF and NO2 has been studied in a quartz reactor in the temperature range of 313.2-334.2 K, varying the initial pressure of CF2OF between 19.4 and 165.2 Torr and that of NO2 + N2O4 between 18.2 and 179.2 Torr. Some experiments were made in presence of 506.5-600.8 Ton of N-2. The total pressure had no influence on the reaction rate. COF2 and FNO2 were identified as reaction products. The expression obtained for the rate constant for the abstraction of fluorine atom from CF3OF by NO2 was: k(1) = (1.1+/-0.2) x 10(9) exp(-16.4+/-1 kcal mol(-1)/RT) dm(3) mol(-1) s(-1). The reaction of CF3OOCF3 with NO2 has been studied in an aluminum reactor in the temperature range of 474.0-512.5 K, varying the initial pressure of CF3OOCF3 between 24.1 and 202.5 Torr and that of NO2 between 24.7 and 202.7 Torr. Several experiments were made in presence of 399.8-490.5 Torr of N-2. The reaction rate was proportional to [CF3OOCF3](1/2). The reaction approached the first order with respect to NO2 at low pressure of NO2. Increasing the pressure of NO2, the ratio of the reaction rates increased more rapidly than the ratio of the corresponding concentrations of NO2. Three products were formed: COF2, FNO and O-2. The expression obtained for the rate constant for the abstraction of the fluorine atom from the radical CF2O by NO2 was: k(8) = (1.72+/-0.4) x 10(9) exp(-10.8+/-1 kcal mol(-1)/RT) dm(3) mol(-1) s(-1). The mechanisms for both reactions were postulated.

DOI：

10.1524/zpch.1999.210.part_1.083
作为产物：

描述：

二氟化氧、氧化亚氮以 neat (no solvent) 为溶剂，生成硝酰氟

参考文献：

名称：

Ruff, O.; Menzel, W., Zeitschrift fur anorganische Chemie, 1931, vol. 198, p. 39 - 52

摘要：

DOI：
作为试剂：

描述：

2-硝基乙醇在 potassium fluoride 、硝酰氟作用下，以乙腈为溶剂，以89.5%的产率得到2-硝基乙醇硝酸酯

参考文献：

名称：

硝基氟硝化醇

摘要：

已经开发了一种在 KF 存在下通过在 MeCN 中用硝酰氟 (FNO2) 处理醇来制备硝酸盐的通用方法。

DOI：

10.1007/bf02496138

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文献信息

Xe3OF3+, a Precursor to a Noble-Gas Nitrate; Syntheses and Structural Characterizations of FXeONO2, XeF2·HNO3, and XeF2·N2O4

作者：Matthew D. Moran、David S. Brock、Hélène P. A. Mercier、Gary J. Schrobilgen

DOI：10.1021/ja105618w

日期：2010.10.6

from liquid N(2)O(4) below 0 °C. The crystal structure of XeF(2)·N(2)O(4) displayed weak interactions between the xenon atom of XeF(2) and the oxygen atoms of N(2)O(4). Quantum-chemical calculations have been used to assign the vibrational spectra of FXeONO(2), XeF(2)·HNO(3), and XeF(2)·N(2)O(4) and to better understand the nature of the interactions of HNO(3) and N(2)O(4) with XeF(2). The synthesis of

已通过 NO(2)F 与 [FXeOXeFXeF][AsF(6)] 在 -50 °C 下反应合成氟化氙。通过低温 (14)N、(19)F 和 (129)Xe NMR 光谱在 SO(2)ClF 和 CH(3)CN 溶液中对其进行表征，并通过低温拉曼光谱 (- 160 °C) 和单晶 X 射线衍射 (-173 °C)。这些反应是使用自然丰度和 (18)O 富集的 [FXeOXeFXeF][AsF(6)] 和 (15)NO(2)F 进行的，以帮助 FXeONO(2) 的振动分配并建立可能的反应途径。拉曼光谱显示 FXe(16)ON((16)O(18)O) 与 XeF(2) 和 [NO(2)][AsF(6)] 一起形成，当 N(16) 过量时O(2)F 与 [FXe(18)OXeFXeF][AsF(6)] 反应。讨论了与这些发现一致的反应机制。晶体结构由分离良好的 FXeONO(2) 分子组成，这
Fluorostannates(II): the non-transition-metal(II) derivatives of the complex tin(II) fluoride ions

作者：J. D. Donaldson、B. J. Senior

DOI：10.1039/j19670001821

日期：——

trifluorostannates(II) Sr(SnF3)2, Ba(SnF3)2, PbFSnF3, Sr2Sn2NO3F7,2H2O, and Pb2SnNO3F5,2H2O described. The infrared and 119Sn Mössbauer spectra of these materials are consistent with the presence of the SnF3– ion in all of them. There is no evidence for tin–nitrate bonding in the nitrate-containing phases but there is an increase in the ionic character of the Sn–F bonds compared with the metal(II) trifluorostannates(II)

研究了水性和熔融SnF 2 -MF 2（M = Mg，Ca，Sr，Ba和Pb）体系，并制备了晶体三氟锡酸盐（II）Sr（SnF 3）2，Ba（SnF 3）2，PbFSnF 3，SR 2的Sn 2 NO 3 ˚F 7，2H 2 O，和Pb 2 SnNO 3 ˚F 5，2H 2 ö说明。这些材料的红外光谱和119 SnMössbauer光谱与SnF 3的存在一致–离子在所有这些。有在含硝酸根的相位锡硝酸盐接合没有证据，但有一个增加的Sn-F键的离子特性与金属相比，（II）trifluorostannates（II）。Sn的无衍生物2 ˚F 5 -离子从水溶液中分离，而是在熔融系统的相图中发现提供可归因于这样的化合物，固体络合物的Sr（SN 2 ˚F 5）2和Ba（SN 2 ˚F 5）准备2个。
Aromatic Substitution. VII.1 Friedel-Crafts Type Nitration of Aromatics2

作者：Stephen J. Kuhn、George A. Olah

DOI：10.1021/ja01483a016

日期：1961.11

Friedel-Crafts type nitration of aromatics with nitryl halides, dinitrogen tetroxide, dinitrogen pentoxide and stable nitronium salts was investigated in homogeneous tetramethylene sulfone solutions. A simple new method of preparing nitronium tetrafluoroborate from nitric acid HF and BF2 was found. The scope of preparative nitroniu in fluoroborate nitration was extended to a variety of substituted aromatics

在均相四亚甲基砜溶液中研究了芳烃与硝基卤化物、四氧化二氮、五氧化二氮和稳定的硝鎓盐的 Friedel-Crafts 型硝化。发现了一种由硝酸HF和BF2制备四氟硼酸硝鎓的简单新方法。氟硼酸盐硝化制备硝基硝基脲的范围扩大到各种取代芳烃。
14N quadrupole coupling constants and14N and19F spin–rotation coupling constants of nitrosyl fluoride, FNO, and nitryl fluoride, FNO2

作者：Christian Styger、Bethany Gatehouse、Nils Heineking、Wolfgang Jäger、Michael C. L. Gerry

DOI：10.1039/ft9938901899

日期：——

coupling constants have been obtained. The 14N quadrupole coupling constants of FNO2 have been rationalized in terms of a σ-withdrawal of electron density from NO2 towards F. This view is corroborated by the magnetic shielding estimated from the F spin–rotation constants.

使用腔脉冲微波傅里叶变换光谱仪测量了亚硝酰氟FNO和亚硝酰氟FNO 2的高分辨率纯旋转光谱。使用通过前体物质的脉冲放电制备样品，并将放电设备安装为光谱仪脉冲喷嘴的一部分。两种分子都解析了由14 N和19 F引起的核四极和磁性超精细结构，并获得了核四极子和自旋-旋转耦合常数的精确值。FNO 2的14 N四极耦合常数已根据从NO吸收电子密度的σ进行了合理化图2朝向F。根据F自旋旋转常数估算的磁屏蔽量证实了该视图。
Kinetics of the gas phase reaction OH + NO(+M)→HONO(+M) and the determination of the UV absorption cross sections of HONO

作者：Palle Pagsberg、Erling Bjergbakke、Emil Ratajczak、Alfred Sillesen

DOI：10.1016/s0009-2614(97)00576-9

日期：1997.7

time-resolved UV and IR spectroscopy. By analysis of the fall-off curve we have derived a value for the limiting low pressure rate constant k0/[SF6] = (1.5 ± 0.1) × 10−30 cm6molecule−2 s−1 at 298 K, using the values of k∞ = (3.3±0.3)×10−11 cm3 molecule−1 s−1 and Fcent = 0.81 reported by Troe and co-workers. The UV spectrum of HONO was recorded in the range 320–400 nm and an absolute absorption cross section

OH + NO（+ M）→HONO（+ M）与M = SF 6作为第三体的反应已用作记录HONO的近紫外吸收光谱而不受其他吸收物种干扰的干净来源。反应是通过SF 6 / H 2 O / NO混合物在298 K下的总压力在10–1000 mbar范围内的脉冲辐解而引发的。通过时间分辨的UV和IR光谱研究了速率系数的压力依赖性。通过分析衰减曲线，我们得出了极限低压率常数k 0 / [SF 6 ] =（1.5±0.1）×10 -30 cm 6分子-2 s -1的值在298K，使用的值ķ ∞ =（3.3±0.3）×10 -11厘米3分子-1小号-1和˚F分= 0.81由Troe和合作者报道。HONO的紫外光谱记录在320–400 nm范围内，对于位于354.2 nm的HONO最强谱带，已确定σ =（5.02±0.76）×10 -19 cm 2分子-1的绝对吸收截面。还研究了用于HONO现场测量的差分吸收截面。

硝酰氟 | 10022-50-1

分子结构分类