nitrosyl hexafluorophosphate - CAS号 16921-91-8

物化性质

溶解度：

溶于乙腈。
稳定性/保质期：

常温常压下稳定，避免与水分、潮湿和酸性物质接触。

计算性质

辛醇/水分配系数(LogP)：

3.28
重原子数：

9
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：

24.8
氢给体数：

0
氢受体数：

8

安全信息

TSCA：

Yes
危险等级：

6.1
危险品标志：

T,C
安全说明：

S26,S36/37/39,S45
危险类别码：

R34
海关编码：

28269090
危险品运输编号：

1759
包装等级：

III
危险类别：

6.1
储存条件：

常温条件下应密闭避光，并存放在通风干燥且惰性气体保护的环境中。

SDS

SDS：3f01a3930f2eda0f82b4d7438a5e3249

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Section 1: Product Identification
Chemical Name: Nitrosonium hexafluorophosphate, min. 97%
CAS Registry Number: 16921-91-8
Formula: NOPF6
EINECS Number: 240-980-9
Chemical Family: metal fluorophosphate complex
Synonym: Nitrosyl Tetrafluorophosphate

Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 16921-91-8 100% 2.5mg/m3 (as F) 2.5mg/m3 (as F)

Section 3: Hazards Identification
Corrosive to skin, eyes and respiratory tract. Ingestion causes damage to the mouth, throat and esophagus.
Emergency Overview:
May cause fluoride poisoning.
Primary Routes of Exposure: Contact with skin and eyes. Inhalation of dust and vapors.
Eye Contact: Causes burns to the eyes. May cause blindness.
Skin Contact: Causes burns with redness and pain. Effects may be delayed.
Causes burns to the respiratory tract. Nitrogen dioxide can cause tachycardia, chest pain, and pulmonary
Inhalation:
edema.
Ingestion: Ingestion causes damage to the mouth, throat and esophagus.
Corrosive to eyes, skin, respiratory tract and gastrointestinal tract. Fluoride poisoning may cause nausea,
Acute Health Affects:
vomiting, diarrhea, weakness, coma, respiratory failure and cardiovascular collapse.
Chronic Health Affects: Prolonged exposure to hydrolysable fluorine compounds can cause deterioration of bone and tooth structure.
NTP: No
IARC: No
OSHA: No

SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Skin Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
Flash Point: not applicable
Autoignition Temperature: not applicable
Explosion Limits: not applicable
Extinguishing Medium: none required
Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus
Special Fire Fighting Procedures:
and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit corrosive fluorophosphoric acid.
Decomposion Products:
Unusual Fire or Explosion Hazards: May act as an oxygen source in a fire. May liberate pressurizing gas if strongly heated.

SECTION 6: Accidental Release Measures
Small spills should be covered with calcium carbonate or limestone, and swept up, or flushed with water and
Spill and Leak Procedures:
sponged up.

SECTION 7: Handling and Storage
Store in a tightly sealed container. Keep away from heat, moisture and direct sunlight. If moisture is present,
Handling and Storage:
glass storage bottle may become etched.

SECTION 8: Exposure Controls and Personal Protection
Eye Protection: Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection: Wear protective clothing and gloves. Consult with glove manufacturer to determine the proper type of glove.
Ventilation: Material may form a toxic fine dust. If possible, handle the material in an efficient fume hood.
In the absence of adequate ventilation a respirator should be worn. The use of a respirator requires a
Respirator:
Respirator Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: Material may form a toxic fine dust. If possible, handle the material in an efficient fume hood.
Additional Protection: No additional protection required.

SECTION 9: Physical and Chemical Properties
Color and Form: white xtl.
Molecular Weight: 174.96
Melting Point: no data
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: none
Solubility in Water: decomposes in water

SECTION 10: Stability and Reactivity
Stability: moisture sensitive
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: Exposure to water.
Incompatibility: mineral acids, oxidizing agents and active metals
Decomposition Products: nitrogen oxides, hydrogen fluoride, and phosphorous oxides.

SECTION 11: Toxicological Information
RTECS Data: No information available in the RTECS files.
Carcinogenic Effects: no information available
Mutagenic Effects: no information available
Tetratogenic Effects: no information available

SECTION 12: Ecological Information
Ecological Information: no information available

SECTION 13: Disposal Considerations
Disposal: Dispose of according to federal, state, and local regulations.

SECTION 14: Transportation
Shipping Name (CFR): Corrosive solids, N.O.S.
Hazard Class (CFR): 8
Additional Hazard Class (CFR): NA
Packaging Group (CFR): II
UN ID Number (CFR): UN# 1759
Shipping Name (IATA): Corrosive solid, N.O.S.
Hazard Class (IATA): 8
Additional Hazard Class (IATA): NA
Packaging Group (IATA): II
UN ID Number (IATA): UN# 1759

SECTION 15: Regulatory Information
TSCA: Listed in the TSCA inventory.
SARA (Title 313): Title compound not listed.
Second Ingredient: none

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

作为反应物：

描述：

nitrosyl hexafluorophosphate 在 C₂H₅OH 作用下，以 not given 为溶剂，生成 hexafluorophosphoric acid

参考文献：

名称：

Seel, F.; Goessl, T., Zeitschrift fur Anorganische und Allgemeine Chemie, 1950, vol. 263, p. 253 - 260

摘要：

DOI：
作为产物：

描述：

phosphorus 、 NOF(HF)6 以 not given 为溶剂，生成 nitrosyl hexafluorophosphate

参考文献：

名称：

Seel, E.; Birnkraut, W.; Werner, D., Chemische Berichte, 1962, vol. 95, p. 1264 - 1274

摘要：

DOI：
作为试剂：

描述：

2-氨基苯酚、茴香烯在 nitrosyl hexafluorophosphate 、 tris-(dibenzylideneacetone)dipalladium(0) 、 zinc(II) carbonate 作用下，以乙腈为溶剂，反应 22.0h，以39%的产率得到trans-2-(4-methoxyphenyl)-3-methyl-2,3-dihydrobenzofuran

参考文献：

名称：

（±）-反式-2-苯基-2,3-二氢苯并呋喃类杀菌剂：合成，体外评估和SAR分析。

摘要：

利什曼病是由利什曼原虫属的寄生虫引起的一种被忽视的热带病，在世界范围内造成了严重的疾病负担，对数百万人的生命构成了威胁，因此是主要的公共卫生问题。需要更有效且无毒的新疗法，特别是对于内脏利什曼病（一种最严重的疾病）。在二氢苯并呋喃以前具有抗霉菌活性的背景下，我们在此介绍一组70种反式-2-苯基-2,3-二氢苯并呋喃的合成及其对利什曼原虫donovani的体外活性的评估，并讨论结构-活动关系。化合物8m-o和8r表现出最高的效价（IC 50 <2μmol/ L）和抗真菌活性相对于对哺乳动物细胞的细胞毒性的有趣的选择性（SI> 4.6）。尽管如此，从体外代谢测定中观察到的最有效化合物（8m）的高清除率可以推断出结构优化是进一步的要求。另一方面，手性分离8m并随后对其对映异构体进行生物学评估表明，手性对活性和细胞毒性没有影响。通过简单的评分函数估算药物相似性对计算机模拟ADME的性质和配体效率

DOI：

10.1016/j.ejmech.2020.112493

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文献信息

Transition metal derivatives of arenediazonium ions XV. The synthesis, chemistry and X-ray crystallographic characterisation of molybdenum(0) and tungsten(0) complexes containing the cis-[M(NO)(N2Ar)]2+ structural unit

作者：M.E Deane、F.J Lalor、G Ferguson、B.L Ruhl、M Parvez

DOI：10.1016/0022-328x(90)80114-f

日期：1990.1

Synthetic procedures and preliminary chemical studies are described for four new types of Group VIa nitrosyl-arenediazo complex: (η-C5H5)M(NO)(N2Ar)Cl (VII), (HBpz3)M(NO)(N2Ar)Cl (VIII). [(HCpz3)M(NO)(N2Ar)Cl]+ (IX) and [(η-C5H5)M(NO)(N2Ar)(PPh3)]+ (XIII). These complexes complete the homologous series containing the isoelectronic and quasi-isostructural fragments [M(NO)2]2+, [M(NO)(N2Ar)]2+ and [M(N2Ar)2]2+

合成程序和初步化学研究为四个新的类型的VIa族的描述亚硝酰-arenediazo络合物：（η-C 5 H ^ 5）M（NO）（N 2的Ar）氯（VII），（HBpz 3）M（NO）（N 2 Ar）Cl（VIII）。[（HCpz 3）M（NO）（N 2的Ar）CL] +（IX）和[（η-C 5 H ^ 5）M（NO）（N 2的Ar）（PPH 3）] +（XIII）。这些配合物完成了包含等电子和准等结构片段[M（NO）2 ] 2 +，[M（NO）（N 2 Ar）] 2+和[M（N2 Ar）2 ] 2+（M =第VIa族金属）。VII和VIII的红外光谱研究表明，这些配合物中的氢三-（1-吡唑基）硼酸根配体比环戊二烯具有更好的π受体。X射线晶体学方法已经表征了两种新的配合物。（HBpz 3）Mo（NO）（N 2 C 6 H 4 F- p）Cl（VIIIb）晶体为三斜晶系空间群P，在一个单元格中具有四个分子，尺寸为a
Synthesis and Characterization of Osmium Nitrosyl Porphyrins Containing Organo, Halogeno, and μ-Oxo Ligands, and Extensions to the First Organometallic Thionitrosyl Porphyrin

作者：Lin Cheng、Li Chen、Hee-Sun Chung、Masood A. Khan、George B. Richter-Addo、Victor G. Young

DOI：10.1021/om980197s

日期：1998.8.1

of the complexes (in CH2Cl2) decrease in the order (OEP)Os(NO)X (1799−1795 cm-1) > [(OEP)Os(NO)]2(μ-O) (1770 cm-1) > (OEP)Os(NO)R (1748−1703 cm-1). The δmeso peaks in the 1H NMR spectra of the (OEP)Os complexes (in CDCl3) also decrease in the order (OEP)Os(NO)X (10.41−10.40 ppm) > [(OEP)Os(NO)]2(μ-O) (10.35 ppm) > (OEP)Os(NO)R (10.24−10.21 ppm) > (OEP)Os(R)2 (9.71−9.03 ppm). The thionitrosyl (OEP)Os(NS)Cl

（OEP）OS（CO）与NOPF 6（在CH 2 Cl 2中）继之以RMgX（在THF中）的顺序反应给出了新的（OEP）OS（NO）R（5-44％）的可变分离产率，（OEP）OS（R）2（1-10％），（OEP）OS（NO）X（14-19％）和[（OEP）OS（NO）] 2（μ-O）（最多24 ％）化合物，具体取决于反应条件以及R和X的性质（OEP =八乙基卟啉对二阴离子； R = Me，Et，iPR，ŤBu，p -C 6 H 4 F；X ＝ Cl，Br）。υ的IR NO络合物的值（在CH 2氯2的顺序）减少（OEP）锇（NO）X（1799年至1795年厘米- 1）> [（OEP）OS（NO）] 2（μ-O ）（1770 cm - 1）>（OEP）OS（NO）R（1748−1703 cm - 1）。（OEP）OS配合物（在CDCl 3中）的1 H NMR光谱中的δ介观峰也以（OEP）OS（NO）X（10
Reactions of metal carbonyls. Part 7. Substitution reactions of decacarbonyldimanganese with tertiary phosphorus and arsenic ligands

作者：Rolf H. Reimann、Eric Singleton

DOI：10.1039/dt9760002109

日期：——

[Mn2(CO)8L2][L = PPh(OMe)2 and P(OMe)3]. Thermal reactions of [Mn2(CO)10] with an excess of L [L = PMePh2,PEtPh2,PMe2Ph, PPh(OMe)2, and P(OMe)3] in high boiling solvents give the hydrido-complexes mer-trans-[Mn(CO)3HL2] which are more conveniently prepared using Na[BH4] in refluxing ethanol. Treatment of the hydrides with HPF6 in acetonitrile gives the salts [Mn(CO)3(NCMe)L2][PF6]. Other cationic complexes of

当L = PMe 2 Ph，AsMe 2 Ph和PMePh 2时，[Mn 2（CO）10 ]与L的热或光化学反应生成[Mn 2（CO）9 L] ，双轴取代的[Mn 2（CO）8 L 2 ]为L = PME 2 PH，PMePh 2，PPH（OME）2，和PPH 2（OME）和diequatorially取代的[锰2（CO）8大号2 ]为L = ASME 2 PH，ASET 3，和ASME 3。电导产物[Mn 2（AsMe 2 Ph）2（CO）8 ]与PPh（OMe）2和P（OMe）3进行配体交换，得到双轴[Mn 2（CO）8 L 2 ] [L = PPh（OMe）2和P（ OMe）3 ]。[Mn 2（CO）10 ]与过量的L [L = PMePh 2，PEtPh 2，PMe 2 Ph，PPh（OMe）2和P（OMe）3 ]在高沸点溶剂中的热反应产生氢化物-络合物聚体-反式- [锰（CO）3
Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon–Carbon Bond Formation Reactions

作者：Jason W. Schultz、Kei Fuchigami、Bo Zheng、Nigam P. Rath、Liviu M. Mirica

DOI：10.1021/jacs.6b06862

日期：2016.10.5

aryl and/or alkyl ligands are commonly proposed as the active intermediates in cross-coupling reactions. Herein, we report the first isolated NiIII-dialkyl complex and show that this species is involved in stoichiometric and catalytic C-C bond formation reactions. Interestingly, the rate of C-C bond formation from a NiIII center is enhanced in the presence of an oxidant, suggesting the involvement of

鉴于镍催化的交叉偶联反应能够使用更广泛的亲电子试剂以及促进立体有择或立体选择性转化，近年来它们正在经历戏剧性的复苏。与广泛研究的通常采用抗磁性中间体的 Pd 催化剂相比，Ni 系统可以更容易地获得各种氧化态，包括奇电子构型。例如，具有芳基和/或烷基配体的有机金属 NiIII 中间体通常被认为是交叉偶联反应中的活性中间体。在此，我们报告了第一个分离的 NiIII-二烷基复合物，并表明该物种参与化学计量和催化 CC 键形成反应。有趣的是，在氧化剂的存在下，NiIII 中心形成 CC 键的速率增加，表明瞬态 NiIV 物种的参与。事实上，对于镍环系统，这样的 NiIV 物种被观察到并通过光谱表征。总的来说，这些研究表明 NiIII 和 NiIV 物质都可以在一系列 Ni 催化的交叉偶联反应中发挥重要作用，尤其是那些涉及烷基底物的反应。
Paramagnetic carbenemetal complexes. Part 2. Synthesis and spectroscopic studies of stable electron-rich olefin-derived paramagnetic carbenecarbonyl- and carbenenitrosyl-iron(I) complexes

作者：Michael F. Lappert、Jonathan J. MacQuitty、Peter L. Pye

DOI：10.1039/dt9810001583

日期：——

generally by use of Ag[BF4]. The iron (I) salts are often chemically and thermally stable, nine examples, e.g.[Fe(CO)3(LMe)2][BF4], being fully characterised as crystalline materials. Oxidation of complex (8) yields the novel di-iron(I) dication [Fe(CO)3(LMe)}2(µ-dppe)]2+ which contains two independent, non-interacting, low-spin d7 iron atoms. The tricarbonyliron(I) complexes react with various neutral ligands

[Fe（CO）3（L Me）L'] [L Me = C [graph省略] Me; L'= PMePh 2，PET 2 PH，PPH 2 H，PPH 3，ASPH 3，P（C 6 H ^ 11）3或P（OPH）3 ]，[的Fe（CO）3（L我）} 2（μ-dppe）]，（8）和[Fe 2（CO）6（L Me）（dppe）]是由具有[Fe（CO）4（L Me）的适当配体描述的）]。这些配合物随后通常通过使用Ag [BF 4 ]通过单电子氧化来生产顺磁性卡宾铁（I）盐（12）-（38）。铁（I）盐通常是化学和热稳定的，九个实例，例如[Fe（CO）3（L Me）2 ] [BF 4 ]，被充分表征为结晶材料。配合物（8）的氧化产生新颖的二铁（I）指示[Fe（CO）3（L Me）} 2（µ-dppe）] 2+，其中包含两个独立的，非相互作用的低旋转d 7铁原子。三羰基铁（I）配合物与各种中性配体反应，生成[Fe（CO）2（L

nitrosyl hexafluorophosphate | 16921-91-8

物质功能分类

分子结构分类

物化性质

计算性质

安全信息

SDS

反应信息

文献信息

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