氟化钼(VI) | 7783-77-9

• 物质功能分类: 无机化工 - 无机盐 - 金属卤化物及卤酸盐
• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属盐
• 中文名称: 氟化钼(VI)
• 中文别名: 荧光钼(Ⅵ)；六氟化钼
• 英文名称: molybdenum(VI) fluoride
• 英文别名: molybdenum hexafluoride；hexafluoromolybdenum
• CAS: 7783-77-9
• 化学式: F₆Mo
• 分子量: 209.93
• InChiKey: RLCOZMCCEKDUPY-UHFFFAOYSA-H

物化性质

• 熔点：
  17.5 °C(lit.)
• 沸点：
  37 °C(lit.)
• 密度：
  2.3 g/mL at 25 °C(lit.)
• 闪点：
  35°CC
• 溶解度：
  与饱和烃、氯代烃和氟代烃混溶。
• 暴露限值：
  ACGIH: TWA 2.5 mg/m3NIOSH: IDLH 250 mg/m3
• 稳定性/保质期：

  如果按照规格使用和储存，则不会分解。在水中能发生水解，并且能够溶解于无水氢氟酸中，其溶解度为15摩尔/100克氢氟酸。这是一种非常强的氧化剂。它具有立方晶系结构，晶格参数为a=0.623nm，在温度低于-9.6℃时会转变为正交晶系，此时晶格参数变为a=0.961nm、b=0.875nm、c=0.507nm。钼氟之间的平均键能为439.4千焦/摩尔；其标准生成焓分别为液态1626.3千焦/摩尔（l），气态1558.5千焦/摩尔（g）；吉布斯自由能变分别为液态-1511.6千焦/摩尔（l），气态-1468.1千焦/摩尔（g），熵变94.2千焦/摩尔，在无水氢氟酸中。其在无水氢氟酸中的溶解度为1.50摩尔/1000克氢氟酸，比电导率为0.1欧姆⁻¹·厘米·摩尔⁻¹。

计算性质

• 辛醇/水分配系数(LogP)：
  2.52
• 重原子数：
  7
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  6

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

毒理性

• 毒性数据

大鼠LC50 = 333 mg/m³

LC50 (rat) = 333 mg/m3

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

安全信息

• TSCA：
  Yes
• 危险等级：
  6.1
• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• WGK Germany：
  3
• 海关编码：
  28261990
• 危险品运输编号：
  UN 3264 8/PG 2
• RTECS号：
  QA4681450
• 包装等级：
  II
• 危险类别：
  6.1
• 储存条件：
  请将贮藏器保持密封状态，并将其放入一个紧密封装的容器中。建议存放在阴凉、干燥的地方。

SDS

Name:	Molybdenum(VI) Fluoride 99.9+% Material Safety Data Sheet
Synonym:	None
CAS:	7783-77-9

Section 1 - Chemical Product MSDS Name:Molybdenum(VI) Fluoride 99.9+% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
7783-77-9	Molybdenum(VI) Fluoride	99.9+%	232-026-5

Hazard Symbols: C
Risk Phrases: 32 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Contact with acids liberates very toxic gas. Causes burns.Moisture sensitive.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May penetrate the skin and cause severe tissue and bone destruction. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. Ingestion of large amounts of fluoride may cause salivation, nausea, vomiting, abdominal pain, fever, labored breathing. Exposure to fluoride compounds can result in systemic toxic effects on the heart, liver, and kidneys. It may also deplete calcium levels in the body leading to hypocalcemia and death. Contains fluoride.
Inhalation:
Causes chemical burns to the respiratory tract. Inhalation may be fatal as a result of spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. Aspiration may lead to pulmonary edema. May cause systemic effects.
Chronic:
May cause liver and kidney damage. Effects may be delayed.

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Section 4 - FIRST AID MEASURES
Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:

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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. Use water spray to keep fire-exposed containers cool. Use extinguishing media appropriate to the surrounding fire. Substance is noncombustible. May react with acids or moisture to form explosive hydrogen gas. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Substance is noncombustible; use agent most appropriate to extinguish surrounding fire. Use dry chemical to fight fire. Do NOT get water inside containers. 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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Do not get water inside containers.

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Section 7 - HANDLING and STORAGE
Handling:
Keep container tightly closed. Do not get on skin or in eyes. Do not ingest or inhale. Use with adequate ventilation. Do not allow contact with water. This product may be under pressure; cool before opening.
Discard contaminated shoes. Use caution when opening. Keep from contact with moist air and steam.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Keep away from acids. Store in metal containers.
Store protected from moisture.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 7783-77-9: 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 minimize contact with skin.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: colorless
Odor: pungent odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 37 deg C
Freezing/Melting Point: 17.5 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 2.3000g/cm3
Molecular Formula: MoF6
Molecular Weight: 209.93

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. Contact with acid liberates gas.
Conditions to Avoid:
Incompatible materials, moisture, exposure to air, acids, exposure to moist air or water.
Incompatibilities with Other Materials:
Moisture, acids, acidic conditions, strong bases, strong oxidizing agents, strong reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 7783-77-9: QA4681450 LD50/LC50:
CAS# 7783-77-9: Inhalation, mouse: LC50 = 339 mg/m3; Inhalation, rat: LC50 = 333 mg/m3.
Carcinogenicity:
Molybdenum(VI) Fluoride - Not listed by ACGIH, IARC, or NTP.
Other:
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
Shipping Name: CORROSIVE LIQUID, N.O.S.*
Hazard Class: 8
UN Number: 1760
Packing Group: II
IMO
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 32 Contact with acids liberates very toxic gas.
R 34 Causes burns.
Safety Phrases:
S 25 Avoid contact with eyes.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 7783-77-9: No information available.
Canada
CAS# 7783-77-9 is listed on Canada's NDSL List.
CAS# 7783-77-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7783-77-9 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

毒性

本品有毒，其短时间暴露极限值（TLV）为5 mg/m³。

化学性质

六氟化钼是一种白色立方结晶体，极易吸湿，在潮湿空气中会释放出蓝白色的烟雾，并容易挥发成气体。它的相对密度为2.30，熔点为17.5℃，沸点为35℃，熔融热为4.33 kJ/mol，汽化热为27.7 kJ/mol。六氟化钼在水中会发生水解反应，并能溶解于无水氢氟酸中，其溶解度约为1.5 mol/1000 g HF。

用途

六氟化钼可用作强氟化剂、成膜材料及离子掺杂剂。

生产方法

合成法是在250～300℃下将冷的干燥氟气与金属钼直接进行氟化反应。生成的粗品MoF6在-5～5℃条件下回收，经过真空蒸馏即可制得六氟化钼成品。

反应信息

• 作为反应物：
  描述：

  氟化钼(VI) 在 一氧化碳 作用下， 反应 24.0h， 以100%的产率得到molybdenum pentafluoride
  参考文献：
  名称：

  重新访问了MoF 5。MoF 5的综合研究

  摘要：

  尽管过去已经研究了五氟化钼MoF 5的性质，但尚未对该化合物进行全面的研究。此外，许多这些研究似乎不连贯，并且对MoF 5的某些观察到的特性提供了矛盾的解释。因此，这里提出了对MoF 5的全面检查，包括使用单晶和粉末X射线衍射重新确定MoF 5的晶体结构，重新评估其IR，拉曼光谱和UV-Vis光谱，以及对MoF 5的研究。密度（3.50（2）g / cm 3 @ 25°C）和磁性能。此外，对气相分子Mo 4进行了密度泛函理论（DFT）计算F 20提供有关调查过程中实现的属性的讨论。单晶X射线衍射表明，MoF 5在单斜C 2 / m空间基团中结晶，为具有式Mo 4 F 20的分离的四聚体。磁测量表明，当“ MoF 5 ”从熔体中冷却得足够快时，S  =½的顺磁性物质与S = 0物质同时存在。可以使用公式（MoF 5）n（n  =奇数）和（MoF 5）n（n  =偶数）来描述这些物质n  = 4）。通过测量， 估计S＝

  DOI：

  10.1016/j.jfluchem.2018.05.002
• 作为产物：
  描述：

  三氟化氮 生成 氟化钼(VI)
  参考文献：
  名称：

  HARADA, ISAO;YODA, YUKIHIRO;IWANAGA, NARUYUKI;NISHITSUJI, TOSHIHIKO;KIKKA+

  摘要：

  DOI：
• 作为试剂：
  描述：

  铀(VI)氟化物 、 一氧化碳 在 氟化钼(VI) 作用下， 20.0 ℃ 、84.9 kPa 条件下， 反应 48.0h， 以100%的产率得到铀五氟化物
  参考文献：
  名称：

  铀和钼六氟化物的还原光化学分离

  摘要：

  两个新的技术被用于六氟化钼的（MOF分离描述6）从六氟化铀（UF 6）。两种分离技术都利用了六氟化物在吸收近紫外线区域的光的能力方面表现出的差异。因为UF 6吸收近紫外区域的光而MoF 6不吸收，所以该观察结果用于在合适的还原剂存在下通过395 nm的光照射将UF 6选择性地还原为五氟化铀（UF 5）。本研究选择了两种还原剂：气态，液态或超临界一氧化碳（CO）和液态二氧化硫（SO 2）。从MoF 6开始在这里描述的反应条件下，如果没有还原铀，则可以在将UF 6完全还原成固体UF 5之后通过蒸馏从含铀的样品中将其除去。使用微波等离子体原子发射光谱法（MP-AES）通过元素分析测量了含钼和铀的样品的纯度。元素分析表明，已从含U的样品中去除了超过98.8％的Mo。通过X射线粉末衍射和IR光谱对样品进行进一步分析。

  DOI：

  10.1016/j.jfluchem.2020.109655

文献信息

• A fluorine-combustion calorimetric study of two molybdenum selenides: MoSe2 and Mo6Se6
  作者：P.A.G O'Hare、I.R Tasker、J.M Tarascon

  DOI：10.1016/0021-9614(87)90163-7

  日期：1987.1

  Abstract Combustion calorimetric measurements of the energies of fluorination of molybdenum selenides have yielded the following standard molar enthalpies of formation at 298.15 K and p = 101.325 kPa; Δ f H m o (MoSe 2 , cr) = −(234.2 ± 3.3) kJ · mol −1 and Δ f H m o (Mo 6 Se 6 , cr) = −(477.8 ± 10.0) kJ · mol −1 . The dissociation enthalpy for the reaction: MoSe 2 (cr) = Mo(cr) + Se 2 (g), is (378

  摘要 在 298.15 K 和 p = 101.325 kPa 条件下，硒化钼氟化能量的燃烧量热测量得出以下标准摩尔生成焓；Δ f H mo (MoSe 2 , cr) = -(234.2 ± 3.3) kJ · mol -1 和Δ f H mo (Mo 6 Se 6 , cr) = -(477.8 ± 10.0) kJ · mol -1 。反应的解离焓：MoSe 2 (cr) = Mo(cr) + Se 2 (g)，在 298.15 K 时为 (378.3 ± 3.4) kJ · mol -1。简要讨论了以下物质的解离热力学二硫化钼。
• Standard molar enthalpy of formation at 298.15 K of the β-modification of molybdenum ditelluride
  作者：P.A.G. O'Hare、G.A. Hope

  DOI：10.1016/0021-9614(89)90051-7

  日期：1989.7

  Abstract Fluorine-combustion calorimetry of a high-purity sample of molybdenum ditelluride has yielded the standard molar enthalpy of formation: ΔfHmo MoTe2, cr, β, 298.15 K) = −(84.2 ± 4.6) kJ·mol−1. At 298.15 K, the enthalpy of the hypothetical β-to-α transition in MoTe2 is approximately −6 kJ·mol−1. The present result for ΔfHmo(MoTe2) has been combined with literature values for the decomposition

  摘要 高纯度二碲化钼样品的氟燃烧量热法得出标准摩尔生成焓：ΔfHmo MoTe2, cr, β, 298.15 K) = -(84.2 ± 4.6) kJ·mol-1。在 298.15 K 时， 中假设的 β 到 α 跃迁的焓约为 -6 kJ·mol-1。ΔfHmo( ) 的当前结果与 分解压力的文献值相结合，得出 ΔfHmo(Mo3Te4, cr, 298.15 K) = -(185 ± 10) kJ·mol-1。我们之前发表的 ΔfHmo(TeF6) (Trans. Faraday Soc. 1966, 62, 558) 已略微修改为 -(1371.8 ± 1.8) kJ·mol−1。
• Radiotracers in fluorine chemistry. Part IV. Fluorine-18 exchange between labelled alkylfluorosilanesand fluorides, or fluoride methoxides, of tungsten(VI), molybdenum(VI), tellurium(VI), and iodine(V)
  作者：Ronald T. Poole、John M. Winfield

  DOI：10.1039/dt9760001557

  日期：——

  Exchange of 18F between labelled alkylfluorosilanes and fluoride methoxides gives the sequences of rates WF6 < WF5(OMe) WF4(OMe)2 > WF3(OMe)3 > WF2(OMe)4, MoF6 MoF6–n(OMe)n, (n= 4 or 5), and IF4(OMe) > IF5. Exchange with tellurium compounds is too slow to measure. An associative mechanism is proposed for the 18F-exchange reactions, and the exchange reactions are compared with similar substitution reactions

  标记的烷基氟硅烷与甲醇的氟化物之间的18 F交换给出速率序列WF 6 WF 3（OMe）3 > WF 2（OMe）4，MoF 6 MoF 6– n（OMe）n，（n = 4或5），并且IF 4（OMe）> IF 5。与碲化合物的交换太慢，无法测量。提出了一种针对18个国家的联系机制将F-交换反应和交换反应与相似的取代反应进行比较。
• Oxidation of silver metal and silver(I) cations by molybdenum, tungsten, and uranium hexafluorides and by the nitrosonium cation in acetonitrile. Preparation and properties of silver(III) hexafluorometalates(V)
  作者：Javed Iqbal、David W. A. Sharp、John M. Winfield

  DOI：10.1039/dt9890000461

  日期：——

  Silver metal is oxidized by molybdenum, tungsten, or uranium hexafluorides or by the nitrosonium cation, all in acetonitrile, to give the solvated silver(I) cation from which silver(I) cations with ligated pyridine, py, or trimethyl phosphite are readily prepared. Oxidation of [Ag(py)4][MoF6] and [Ag(py)2][UF6] in MeCN by MoF6 and UF6respectively leads to the silver(III) compounds [Ag(py)4(NCMe)][MoF6]3

  银金属被乙腈中的钼，钨或六氟化铀或硝基阳离子氧化，生成溶剂化的银（I）阳离子，可从中轻松制备银（I）阳离子与连接的吡啶，py或亚磷酸三甲酯。MoCN 6和UF 6在MeCN中氧化[Ag（py）4 ] [MoF 6 ]和[Ag（py）2 ] [UF 6 ]分别生成银（III）化合物[Ag（py）4（NCMe ）] [MoF 6 ] 3和[Ag（py）2（NCMe）3 ] [UF 6 ] 3。阳离子是MeCN中的强氧化剂。溶剂化的铜（I）阳离子和分子碘被氧化生成铜（II）和[I（NCMe）2 ] +阳离子。
• The Molybdenum(V) and Tungsten(VI) Oxoazides [MoO(N ₃ ) ₃ ], [MoO(N ₃ ) ₃ ⋅2 CH ₃ CN], [(bipy)MoO(N ₃ ) ₃ ], [MoO(N ₃ ) ₅ ] ²⁻ , [WO(N ₃ ) ₄ ], and [WO(N ₃ ) ₄ ⋅CH ₃ CN]
  作者：Ralf Haiges、Juri Skotnitzki、Zongtang Fang、David A. Dixon、Karl O. Christe

  DOI：10.1002/anie.201505418

  日期：2015.12.14

  isolation of the corresponding adducts [MoO(N3)3⋅2 CH3CN] and [WO(N3)4⋅CH3CN]. Subsequent reactions of [MoO(N3)3] with 2,2′‐bipyridine and [PPh4][N3] resulted in the formation and isolation of [(bipy)MoO(N3)3] and [PPh4]2[MoO(N3)5], respectively. Most molybdenum(V) and tungsten(VI) oxoazides were fully characterized by their vibrational spectra, impact, friction and thermal sensitivity data and, in the case

  从[MOF 4 ]（M = MO，W）和Me 3 SiN 3出发，制备了一系列新型的钼（V）和钨（VI）含氧叠氮化物。尽管Me 3 SiN 3与WOF 4在SO 2溶液中的反应是通过氟-叠氮化物交换形成的[WO（N 3）4 ] ，但与MOOF 4的反应导致MO VI还原为MO V并形成了[MOO（N 3）3 ]。在乙腈溶液中进行，这些反应导致分离出相应的加合物[MOO（N 3）3⋅2CH 3 CN]和[WO（N 3）4 ⋅CH 3 CN]。[[MOO（N 3）3 ]与2,2'-联吡啶和[PPh 4 ] [N 3 ]的随后反应导致[（bipy）MOO（N 3）3 ]和[PPh 4 ]的形成和分离。2分别为[MOO（N 3）5 ]。最钼（V）和钨（VI）oxoazides得到充分特征在于它们的振动光谱，冲击，摩擦和热灵敏度数据，并在[WO（N的情况下3）4 ⋅CH 3 CN]，[（联吡啶）的MOO

表征谱图