aluminium(III) fluoride trihydrate | 15098-87-0

• 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 - 后过渡金属盐
• 英文名称: aluminium(III) fluoride trihydrate
• 英文别名: aluminum fluoride trihydrate；aluminium trifluoride trihydrate；aluminium fluoride trihydrate；Aluminum,aquatrifluoro-,(t-4)-(9ci)；aluminum;trifluoride;hydrate
• CAS: 15098-87-0
• 化学式: AlF₃*3H₂O
• 分子量: 138.023
• InChiKey: XTXFDUABTPNTFB-UHFFFAOYSA-K

物化性质

• 熔点：
  250℃ -3H{2}O
• 密度：
  2.88 g/mL at 25 °C(lit.)
• 暴露限值：
  ACGIH: TWA 2.5 mg/m3NIOSH: IDLH 250 mg/m3; TWA 2 mg/m3; TWA 2.5 mg/m3
• 稳定性/保质期：

  1. 常温常压下稳定。

  2. 避免与酸接触。微溶于热水，不溶于酸、碱和其他有机溶剂。有毒。在水溶液中合成的氟化铝根据合成条件可以成为以下几种类型之一：AlF3·9 （熔点21℃时脱水）、 ·3.5 （α-型及β-型，在75℃以上脱水，β-型为水溶性）和 ·3 （α-型及β-型，在75℃以上脱水，α-型为水溶性）。如果这些物质被脱水，则会依次转变为 ·1.5 （150℃时脱水）、 ·H2O（210℃时脱水）和 ·0.5 （600℃时脱水），最终变成 。但在脱水过程中，部分会发生自身水解生成氟氧化铝Al7F7O7及氧化铝Al2O3，导致纯度下降。氟化铝难溶于氢氟酸，但其水合物可以以H3AlF6的形式溶解。在真空中加热至700℃时，可得到白色升华物的氟化铝AlF。

  3. 氟化铝有毒，吸入或接触皮肤时会有毒害作用。

计算性质

• 辛醇/水分配系数(LogP)：
  0.06
• 重原子数：
  5
• 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：
  1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• TSCA：
  Yes
• 危险等级：
  8
• 危险品标志：
  Xn,Xi,T
• 安全说明：
  S26
• 危险类别码：
  R22
• WGK Germany：
  1
• 海关编码：
  28261200
• 危险品运输编号：
  3260
• 包装等级：
  III
• 危险类别：
  8
• 储存条件：
  常温下应密闭避光保存，并保持通风和干燥。

SDS

Name:	Aluminum fluoride trihydrate 97% Material Safety Data Sheet
Synonym:
CAS:	15098-87-0

Section 1 - Chemical Product MSDS Name:Aluminum fluoride trihydrate 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
15098-87-0	Aluminum fluoride trihydrate	97%	unlisted

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.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Chronic effects include excessive calcification of the bones, ligaments, and tendons.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. May cause salivation, nausea, vomiting, abdominal pain, fever, and labored breathing.
Chronic:
Chronic inhalation may cause nasal septum ulceration and perforation. Chronic effects include excessive calcification of the bones, ligaments, and tendons.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid immediately.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. Substance is noncombustible.
Extinguishing Media:
Use extinguishing media most appropriate for the surrounding fire.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Wash area with soap and water. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Avoid contact with skin and eyes.
Avoid ingestion and inhalation. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container. Do not store in metal or glass containers.

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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 only under a chemical fume hood.
Exposure Limits CAS# 15098-87-0: United States OSHA: 2.5 mg/m3 TWA (as F) (listed under Fluorides).2.5 mg/m3 TWA (as F) (listed under Fluorides).
France - VME: (listed as fluorides): 2.5 mg/m3 VME (as F) Germany: (listed as fluorides): 2.5 mg/m3 VME (as F) Malaysia: (listed as fluorides): 2.5 mg/m3 TWA (as F) Netherlands: (listed as fluorides): 3.5 mg/m3 STEL (as F) 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 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: None reported
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: slightly soluble in water
Specific Gravity/Density:
Molecular Formula: AlF3.3H2O
Molecular Weight: 138.02

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong acids; glass containers.
Hazardous Decomposition Products:
Hydrogen fluoride gas, aluminum oxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 15098-87-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Aluminum fluoride trihydrate - Not listed by ACGIH, IARC, or NTP.

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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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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# 15098-87-0: 1
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 15098-87-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 15098-87-0 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

制备

将浓度为40%的氢氧化铝料浆按反应配比加入到盛有60%氟化氢铵溶液的反应釜内进行反应，加料时间25分钟。保持反应温度在100℃，生成氟化铝溶液。经氨气吸收后得到氨水，并将氟化铝溶液结晶。在80℃下结晶5小时，最终产物为三水氟化铝。

用途

氟化铝是一种无色或白色的结晶体，不溶于水、酸和碱，性质非常稳定，在加热条件下可发生水解反应。主要应用于炼铝工业中，能够降低熔点并提高电解质的导电率。此外，它还可用于酒精生产中作为抑制副发酵作用的添加剂，并用作陶瓷釉和搪瓷釉的助熔剂及釉药成分之一。在冶炼非铁金属时，氟化铝也可作为熔剂使用。

反应信息

• 作为反应物：
  描述：

  aluminium(III) fluoride trihydrate 以 solid 为溶剂， 生成 氟化铝
  参考文献：
  名称：

  氟化γ-氧化铝和β-氟化铝（III）表面对卤化氢和叔丁基氯化物的反应性

  摘要：

  路易斯酸β-铝（III）氟化物和γ-氧化铝，在室温下用四氟化硫氟化，都与氟化氢和氯化物相互作用，如使用[ 18 F]和[ 36 Cl]的放射性示踪剂测量所证明的。的HCl的朝向两个表面上的不同的行为是通过考虑合理的表面位点，并在β-的AlF的情况下合理化3，残留水的作用。两种材料都促进叔丁基氯的脱氯化氢作用。β -铝（III），氟化还具有在弗瑞德-克莱福特烷基化而卜低聚一些催化活性吨Cl在氟化γ-氧化铝上占主导地位。行为不同似乎是由于在静态条件下氟化的γ-氧化铝上同时存在路易斯和布朗斯台德表面酸性。建议对此表面进行描述。

  DOI：

  10.1039/b106229h
• 作为产物：
  描述：

  氟化铝 在 acid 作用下， 以 not given 为溶剂， 生成 aluminium(III) fluoride trihydrate
  参考文献：
  名称：

  AU1403183

  摘要：

  公开号：

文献信息

• Etching AlAs with HF for Epitaxial Lift-Off Applications
  作者：M. M. A. J. Voncken、J. J. Schermer、A. T. J. van Niftrik、G. J. Bauhuis、P. Mulder、P. K. Larsen、T. P. J. Peters、B. de Bruin、A. Klaassen、J. J. Kelly

  DOI：10.1149/1.1690293

  日期：——

  The epitaxial lift- off process allows the separation of a thin layer of III/ V material from the substrate by selective etching of an intermediate AlAs layer with HF. In a theory proposed for this process, it was assumed that for every mole of AlAs dissolved three moles of H-2 gas are formed. In order to verify this assumption the reaction mechanism and stoichiometry were investigated in the present

  外延剥离工艺允许通过使用 HF 选择性蚀刻中间 AlAs 层，从衬底上分离出 III/V 族材料薄层。在为该过程提出的理论中，假设每溶解 1 摩尔 AlAs，就会形成 3 摩尔 H-2 气体。为了验证这一假设，在目前的工作中研究了反应机理和化学计量。蚀刻过程的固体、溶液和气体反应产物已经通过多种技术进行了检测。发现氟化铝以固体形式和溶液形式形成。此外，在蚀刻工艺中形成 H-2 胂 (AsH3) 来代替。一些与氧有关的砷化合物，如 AsO、AsOH 和 AsO2 也已通过气相色谱/质谱法检测到。蚀刻环境中氧气的存在会加速蚀刻过程，而完全没有氧气会导致过程过早停止。有人认为，在没有氧气的情况下，蚀刻表面是稳定的，可能是通过微溶的 AlF3 或固体砷。(C) 2004 电化学学会。
• New Fluorination Reactions of Ammonium Bifluoride
  作者：Jasbinder S. Sanghera、Patricia Hart、Maria G. Sachon、Ken J. Ewing、Ishwar Aggarwal

  DOI：10.1111/j.1151-2916.1990.tb05202.x

  日期：1990.5

  between ammonium bifluoride and specific anhydrous and hydrated metal fluoride salts. The products are defined as ammonium fluoride–metal fluoride complexes. The kinetics of their formation and subsequent dissociation were followed by thermogravimetric analysis. It was observed that these complexes decompose with the evolution of HF above temperatures at which ammonium bifluoride decomposes and where

  本文介绍了一种生产低氧氟锆酸盐玻璃的新途径。该过程涉及在氟化氢铵与特定的无水和水合金属氟化物盐之间使用迄今为止未知的固态化学反应。产品定义为氟化铵-金属氟化物配合物。它们的形成和随后解离的动力学随后进行热重分析。观察到这些配合物在高于氟化氢铵分解且其供应可能耗尽的温度下随着HF的放出而分解。这些材料已用于熔化氟锆酸盐玻璃。这些玻璃的氧含量已显着降低至约 10 ppm。玻璃稳定性，定义为重新加热时没有失透，也似乎随着氧含量的降低而增加。这意味着成核和生长的机制主要是异质成核而不是均质成核。此外，为跨大陆光通信系统生产长长度的无晶体氟化物光纤似乎是一个现实的目标，特别是如果可以消除异质性。
• The Crystal Structure of Ba2Cu2AlF11: a New Structure Type in Copper Fluoride Crystal Chemistry
  作者：Nathalie Dupont、Ariel de Kozak、Patrick Gredin、Maurice Samouël

  DOI：10.1002/(sici)1521-3749(199802)624:2<331::aid-zaac331>3.0.co;2-s

  日期：1998.2

  Kristallstruktur von Ba2Cu2AlF11: ein neuer Strukturtyp in der Kristallchemie der Kupferfluoride Ba2Cu2AlF11 kristallisiert trigonal mit den Gitterkonstanten: a = 7,301(1) A, c = 14,145(2) A, γ = 120°, Z = 3. Die Kristallstruktur wurde an einem Einkristall in der Raumgruppe P32 (Nr. 145), mit 2675 unabhangigen Reflexen (2476 mit F > 4σ(F)) gelost. Sie bildet eine komplexe, dreidimensionale Anordnung von Kupfer-

  Ba2Cu2AlF11 是三角形的：a = 7.301 (1) A, c = 14.145 (2) A, γ = 120°, Z = 3. 晶体结构在空间群 P32 (n°145) 中解出，来自 X 射线单晶体数据使用 2675 次独特反射（2476 次，F / σ (F)> 4）。它由铜-氟和铝-氟八面体的复杂立体排列组成，具有原始类型的连接，同时涉及边缘和顶点。Ba2Cu2AlF11 的晶体结构：氟化铜晶体化学中的一种新结构类型 Ba2Cu2AlF11 以三角形结晶，晶格常数为：a = 7.301 (1) A, c = 14.145 (2) A, γ = 120 °, Z = 3 . 晶体结构在空间群P32（No. 145）中的单晶上，解决了2675个独立反射（2476个F> 4σ（F））。它形成了一个复杂的，
• Structural Insights into Aluminum Chlorofluoride (ACF)
  作者：Thoralf Krahl、Reinhard Stösser、Erhard Kemnitz、Gudrun Scholz、Michael Feist、Gilles Silly、Jean-Yves Buzaré

  DOI：10.1021/ic034106h

  日期：2003.10.1

  compared with amorphous aluminum fluoride conventionally prepared by dehydration of alpha-AlF(3) x 3H(2)O. The thermal behavior of both compounds was investigated by DTA and XRD. In comparison to ACF, amorphous AlF(3) prepared in a conventional way is not catalytically active for the isomerization reaction of 1,2-dibromohexafluoropropane, which requires a very strong Lewis acid. Both compounds are

  通过IR，ESR，Cl K XANES，（19）F MAS NMR和NMR研究了非常坚固的固体路易斯酸氯氟铝（ACF，AlCl（x）F（3-x），x = 0.05-0.3）的结构。 （27）Al SATRAS NMR光谱方法，并与常规通过α-AlF（3）x 3H（2）O脱水制备的非晶态氟化铝进行了比较。通过DTA和XRD研究了这两种化合物的热行为。与ACF相比，以常规方式制备的无定形AlF（3）对1,2-二溴六氟丙烷的异构化反应没有催化活性，这需要非常强的路易斯酸。这两种化合物主要是由角落共享的AlF（6）八面体组成，形成一个随机网络。ACF中的无序度高于无定形的AlF（3）。通过（19）F NMR在ACF中检测到末端氟原子。ACF中的氯并不单独存在，结晶的AlCl（3）相。另外，合成中残留的含氯自由基被困在ACF的空腔中。这些自由基在室温下稳定，但不参与催化反应。
• Hydrothermal synthesis of Group 13 metal trifluoride complexes with neutral N-donor ligands
  作者：Rajiv Bhalla、William Levason、Sajinder K. Luthra、Graeme McRobbie、Francesco M. Monzittu、Jazmyn Palmer、Gillian Reid、George Sanderson、Wenjian Zhang

  DOI：10.1039/c5dt01120e

  日期：——

  [K(2,2,2-crypt)]F. Crystallisation of a mixture of [NH4][PF6] and [GaF3(terpy)]·3H2O from aqueous solution produced the edge-bridged cationic complex, [Ga(terpy)F}2(μ-F)2][PF6]2. The synthesis of the more sterically bulky [GaCl3(tBu3-terpy)] (tBu3-terpy = 4,4′4′′-tris-tBu-2,2′:6′,2′′-terpyridyl) and the crystal structure of [GaCl2(tBu3-terpy)][GaCl4], which contains a trigonal bipyramidal cation, are

  水合的13族氟化物，MF 3 ·3H 2 O（M = Al，Ga或In）与2,2'：6'，2''-吡啶基，2,2'-联吡啶或1,10-的反应菲咯啉在水热条件下（180°C / 15 h）产生高产率的复合物[MF 3（terpy）]·3H 2 O，[MF 3（bipy）（OH 2）]·2H 2 O和[MF 3（ phen）（OH 2）]。[M'F 3（terpy ）]·3H 2 O（M'= Al或Ga），[M'F 3（bipy）（OH 2）]·2H 2 O和[GaF 3（苯）（OH 2）]表明它们全部在金属上具有扭曲的八面体几何形状，且具有三氟化硫配位。广泛的H键（F⋯H–OH）连接分子。通过显微分析，IR，1 H，19 F 1 H}和27 Al NMR光谱进一步表征了该配合物。相反，在类似的水热条件下，三氟化物与无环三胺N，N，N '，N '，N ''-五甲基二亚乙基三胺的反应导致三胺裂解并闭环形成1