二氟代氙 | 13709-36-9

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 均质惰性气体
• 中文名称: 二氟代氙
• 中文别名: 甜菜安
• 英文名称: xenon difluoride
• 英文别名: difluoroxenon
• CAS: 13709-36-9
• 化学式: F₂Xe
• 分子量: 169.287
• InChiKey: IGELFKKMDLGCJO-UHFFFAOYSA-N

物化性质

• 熔点：
  129 °C (lit.)
• 沸点：
  114.35°C (estimate)
• 密度：
  4.32 g/mL at 25 °C (lit.)
• 闪点：
  None
• 溶解度：
  可溶于乙腈（少许）、DMSO（少许）
• 暴露限值：
  ACGIH: TWA 2.5 mg/m3NIOSH: IDLH 250 mg/m3; TWA 2.5 mg/m3
• 稳定性/保质期：

  常温常压下稳定，需避免水分、潮湿、还原剂、空气以及金属粉末。

  溶解度为25克/1000克水(0℃)，在水中会慢慢水解生成Xe、O₂和HF。

计算性质

• 辛醇/水分配系数(LogP)：
  0.69
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  -2147483.648
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

ADMET

毒理性

• 副作用

职业性肝毒素 - 第二性肝毒素：在职业环境中的毒性效应潜力是基于人类摄入或动物实验的中毒案例。 皮肤毒素 - 皮肤烧伤。 毒性肺炎 - 由于吸入金属烟雾或有毒气体和蒸气引起的肺部炎症。

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. Dermatotoxin - Skin burns. Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

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

毒理性

• 毒性数据

LC50 (小鼠) = 445 毫克/立方米/2小时

LC50 (mice) = 445 mg/m3/2h

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

安全信息

• TSCA：
  T
• 危险等级：
  5.1
• 危险品标志：
  O,T+
• 危险类别码：
  R26,R8,R34,R25
• 危险品运输编号：
  UN 3087 5.1/PG 2
• WGK Germany：
  3
• RTECS号：
  ZE1294166
• 海关编码：
  28129019
• 包装等级：
  II
• 危险类别：
  5.1
• 安全说明：
  S17,S26,S28,S36/37/39,S45
• 危险标志：
  GHS03,GHS05,GHS06
• 危险性描述：
  H272,H301,H314,H330
• 危险性防范说明：
  P210,P220,P280,P304 + P340 + P310,P305 + P351 + P338
• 储存条件：
  常温密闭保存，置于阴凉、通风干燥的惰性气体环境中。

SDS

Name:	Lanthanum(iii) Fluoride Laser Grade Material Safety Data Sheet
Synonym:
CAS:	13709-36-9

Section 1 - Chemical Product MSDS Name:Lanthanum(iii) Fluoride Laser Grade Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
13709-36-9	Xenon difluoride	99.5	237-251-2

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Hygroscopic.
Potential Health Effects
Eye:
Dust may cause mechanical irritation.
Skin:
Dust may cause mechanical irritation. Effects of contact may be delayed.
Ingestion:
May cause digestive tract disturbances.
Inhalation:
May cause respiratory tract irritation. Effects of inhalation may be delayed.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Substance is noncombustible. Containers may explode when heated.
Extinguishing Media:
Do NOT use straight streams of water. For small fires, use dry chemical, carbon dioxide, or water spray. For large fires, use water spray, fog or regular foam. Cool containers with flooding quantities of water until well after fire is out.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Avoid runoff into storm sewers and ditches which lead to waterways.
Wash area with soap and water. Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation. Do not get water inside containers.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29CFR 1910.134 or European Standard EN 149. Always use a NIOSH or European Standard EN 149 approved respirator when necessary.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Appearance: off-white
Odor: odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density: 5.9360g/cm3
Molecular Formula: F3La
Molecular Weight: 195.91

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, moisture.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases, hydrogen fluoride, fluorine.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 13709-36-9: ZE1294166 LD50/LC50:
CAS# 13709-36-9: Inhalation, mouse: LC50 = 445 mg/m3/2H; Oral, mouse: LD50 = 90 mg/kg.
Carcinogenicity:
Xenon difluoride - ACGIH: A4 - Not Classifiable as a Human Carcinogen (as F) (listed See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 13709-36-9: No information available.
United Kingdom Occupational Exposure Limits
CAS# 13709-36-9: OES-United Kingdom, TWA (listed as ** undefined
**): as F: 2.5 mg/m3 TWA
Canada
CAS# 13709-36-9 is listed on Canada's NDSL List.
CAS# 13709-36-9 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
CAS# 13709-36-9 (listed as ** undefined **): OEL-AUSTRALIA:TWA 2.5 mg(
F)/m3
OEL-BELGIUM:TWA 2.5 mg(F)/m3
OEL-CZECHOSLOVAKIA:TWA 1 mg(F)/m3;STEL 5 mg(F)/m3
OEL-DENMARK:TWA 2.5 mg(F)/m3
OEL-FINLAND:TWA 2.5 mg(F)/m3
OEL-FRANCE:TWA 2.5 mg(F)/m3
OEL-GERMANY:TWA 2.5 mg(F)/m3
OEL-HUNGARY:TWA 1 mg(F)/m3;STEL 2 mg(F)/m3
OEL-THE NETHERLANDS:TWA 2.5 mg(F)/m3
OEL-THE PHILIPPINES:TWA 2.5 mg(F)/m3
OEL-POLAND:TWA 1 mg(F)/m3
OEL-SWEDEN:TWA 2 mg(F)/m3
OEL-SWITZERLAND:TWA 1.8 ppm (1.5 mg(F)/m3);STEL 9.0 ppm
OEL-THAILAND:TWA 2.5 mg(F)/m3
OEL-TURKEY:TWA 2.5 mg(F)/m3
OEL-UNITED KINGDOM:TWA 2.5 mg(F)/m3
US FEDERAL
TSCA
CAS# 13709-36-9 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

理化性质

二氟化氙（XeF₂），又称二氟代氙，分子量为169.30。它是一种无色固体，在室温下容易升华形成透明晶体。在中性或碱性溶液中易分解，而在酸性溶液中较为稳定。其水溶液具有刺激气味，蒸汽则呈无色且带有令人不适的恶臭。

二氟化氙在电子工业中有广泛应用，常被用作硅的蚀刻气体。由于与硅反应是自发进行的，XeF₂对硅的腐蚀工艺具有极高的选择性。具体而言，在腐蚀过程中，XeF₂气体通过自由扩散到达硅衬底表面并与最外层硅原子发生化学反应生成气态氙（Xe）和气态四氟化硅（SiF₄），从而实现对硅的选择性蚀刻。

用途

二氟化氙是一种非常有效的氟化剂。

反应信息

• 作为反应物：
  描述：

  二氟代氙 在 uranium oxide 作用下， 生成 铀(VI)氟化物
  参考文献：
  名称：

  DE2506475

  摘要：

  公开号：
• 作为产物：
  描述：

  三氟甲基次氟酸酯 生成 二氟代氙
  参考文献：
  名称：

  The Reaction of Xenon with Dioxygen Difluoride. A New Method for the Synthesis of Xenon Difluoride

  摘要：

  DOI：

  10.1021/ic50027a038
• 作为试剂：
  描述：

  1-丙烯基苯 在 二氟代氙 、 氢氟酸 作用下， 以 二氯甲烷 为溶剂， 生成 dl-erythro-1,2-Difluor-1-phenylpropan
  参考文献：
  名称：

  Fluorination with xenon difluoride. Stereochemistry of fluorine addition to phenyl-substituted olefins

  摘要：

  DOI：

  10.1021/jo00429a017

文献信息

• Synthesis, Structure, and Reactivity of Four-, Five-, and Six-Coordinate Ruthenium Carbyne Complexes
  作者：Stephen R. Caskey、Michael H. Stewart、Yi Joon Ahn、Marc J. A. Johnson、Jesse L. C. Rowsell、Jeff W. Kampf

  DOI：10.1021/om061192v

  日期：2007.4.1

  either six-coordinate bis-phosphine complexes Ru(⋮C-p-C6H4Me)(PCy3)2X3 (X = F, Cl) or square-pyramidal mono-phosphine complexes Ru(⋮C-p-C6H4Me)(PCy3)X3 (X = Br, I) depending on the size of the halide ligands. Cationic square-pyramidal complexes of the form [Ru(⋮C-p-C6H4Me)(PCy3)2X2]+ (X = Cl, I) can be prepared from Ru(⋮C-p-C6H4Me)(PCy3)2Cl3 by chloride abstraction using [Ph3C]BF4 and from Ru(⋮C-p-C6H4Me)(PCy3)X3

  通过格鲁布斯催化剂Ru（CHR）（PCy）的净脱卤化氢制备Ru（⋮CR）（PCy 3）2 X（X = F，Cl，Br，I，O 3 SCF 3）形式的方平面碳炔络合物3）2 Cl 2，然后取代氯化物配体（当X≠Cl时）。脱卤化氢可以通过Ge（CH [SiMe 3 ] 2）2在一个步骤（R = n- Bu，Ph，p -C 6 H 4 Me）中进行，也可以通过用过量的芳基氧化物如NaO- p处理在两个步骤中进行。-C 6高4-吨-Bu随后的SnCl 2。后面的路线产量更高，但范围受到更多限制。将HCl（1当量）加到Ru（＝ CR）（PCy 3）2 X（X ＝ Cl，Br，I）中，得到Ru（CHR）（PCy 3）2 ClX。具有混合的卤化物配体组的那些在溶液中经历快速的卤化物交换。用适当的氧化剂处理后，每个Ru（⋮C- p -C 6 H 4 Me）（PCy 3）2 X络合物均经历两电子氧化。Ru（⋮C-
• Bismuth-Catalyzed Oxidative Coupling of Arylboronic Acids with Triflate and Nonaflate Salts
  作者：Oriol Planas、Vytautas Peciukenas、Josep Cornella

  DOI：10.1021/jacs.0c05343

  日期：2020.7.1

  Herein we present a Bi-catalyzed cross-coupling of arylboronic acids with perfluoroalkyl sulfonate salts based on a Bi(III)/Bi(V) redox cycle. An electron-deficient sulfone ligand proved to be key for the successful implementation of this protocol, which allows the unusual construction of C(sp2)–O bonds using commercially available NaOTf and KONf as coupling partners. Preliminary mechanistic studies

  在此，我们提出了基于 Bi(III)/Bi(V) 氧化还原循环的芳基硼酸与全氟烷基磺酸盐的 Bi 催化交叉偶联。缺电子的砜配体被证明是成功实施该协议的关键，它允许使用市售的 NaOTf 和 KONf 作为偶联伙伴构建 C(sp2)-O 键。初步的机理研究和理论研究揭示了高度亲电子的 Bi(V) 物种的中间体，它可以快速消除三氟甲磺酸苯酯。
• Reactivity of the Ni→B dative σ-bond in the nickel boratrane compounds [κ4-B(mimBut)3]NiX (X = Cl, OAc, NCS, N3): synthesis of a series of B-functionalized tris(2-mercapto-1-tert-butylimidazolyl)borato complexes, [YTmBut]NiZ
  作者：Keliang Pang、Joseph M. Tanski、Gerard Parkin

  DOI：10.1039/b714466k

  日期：——

  The nickel boratrane complexes [κ4-B(mimBut)3]Ni(κ1-OAc), [κ4-B(mimBut)3]NiNCS and [κ4-B(mimBut)3]NiN3 are obtained viametathesis of the chloride ligand of [κ4-B(mimBut)3]NiCl with TlOAc, KSCN and NaN3, respectively; the Ni→B bond in these complexes is a site of reactivity, thereby providing a means of synthesizing nickel complexes that feature B-functionalized tris(mercaptoimidazolyl)borate derivatives, [YTmBut]NiZ.

  镍硼氨基化合物 [κ4-B(mimBut)3]Ni(κ1-OAc)、[κ4-B(mimBut)3]NiNCS 和 [κ4-B(mimBut)3]NiN3 是通过与 TlOAc、KSCN 和 NaN3 的氯配体 [κ4-B(mimBut)3]NiCl 的换位反应获得的；这些化合物中 Ni–B 键是反应的活性位点，因此提供了一种合成具有 B-功能化三（巯基咪唑基）硼酸酯衍生物 [YTmBut]NiZ 的镍配合物的方法。
• Fluorine Compounds of Xenon and Radon
  作者：C. L. Chernick、H. H. Claassen、P. R. Fields、H. H. Hyman、J. G. Malm、W. M. Manning、M. S. Matheson、L. A. Quarterman、F. Schreiner、H. H. Selig、I. Sheft、S. Siegel、E. N. Sloth、L. Stein、M. H. Studier、J. L. Weeks、M. H. Zirin

  DOI：10.1126/science.138.3537.136

  日期：1962.10.12

  Xenon and fluorine combine readily. Xenon tetrafluoride is a colorless crystalline material, stable at room remperature. The existence of at least one other fluoride and two oxyfluorides has been demonstrated. The heaviest "inert gas," radon, also reacts with fluorine, yielding a compound less volatile than xenon tetrafluoride.

  氙气和氟很容易结合。四氟化氙是一种无色结晶材料，在室温下稳定。已经证明存在至少一种其他氟化物和两种氟氧化物。最重的“惰性气体”氡也会与氟反应，产生一种比四氟化氙更不易挥发的化合物。
• Ferrocenyl-derived electrophilic phosphonium cations (EPCs) as Lewis acid catalysts
  作者：Ian Mallov、Douglas W. Stephan

  DOI：10.1039/c6dt00105j

  日期：——

  Oxidation of diphenylphosphinoferrocene and 1,1′-bis(diphenylphosphino)ferrocene with XeF2, resulted in the formation of CpFe(η5-C5H4PF2Ph2) 1 and Fe(η5-C5H4PF2Ph2)22 respectively. Subsequent reactions with [SiEt3][B(C6F5)4] yielded [CpFe(η5-C5H4PFPh2)][B(C6F5)4] 3 and [Fe(η5-C5H4PFPh2)2] [B(C6F5)4]24. PhP(η5-C5H4)2Fe 5 was prepared, converted to [PhMeP(η5-C5H4)2Fe][O3SCF3] 6 and then to [PhMeP(η5

  与氟化氙二苯基膦二和1,1'-双（二苯基膦基）二茂铁的氧化2，导致CpFe的量的形成（η 5 -C 5 H ^ 4 PF 2博士2）1和Fe（η 5 -C 5 H ^ 4 PF 2 Ph 2）2 2分别。与[SIET后续反应3 ] [B（C 6 ˚F 5）4〕得到〔CpFe的量（η 5 -C 5 H ^ 4 PFPh 2）] [B（C 6 ˚F5） 4 ] 3和的[Fe（η 5 -C 5 H ^ 4 PFPh 2） 2 ] [B（C 6 ˚F 5） 4 ] 2 4。PHP（η 5 -C 5 H ^ 4） 2的Fe 5制备，转化为[PhMeP（η 5 -C 5 H ^ 4） 2的Fe] [0 3 SCF 3 ] 6，然后到[PhMeP（η 5 -C 5高4）2 Fe] [B（C 6 F 5）4 ] 7。的盐的能力3，4和7来催化1,1-二苯基乙烯的弗里德尔-克拉夫茨二聚化，dehydroco