三氟化镓 | 7783-51-9

• 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 - 后过渡金属盐
• 中文名称: 三氟化镓
• 中文别名: 三氟化镓三水合物；三氟化镓无水；无水三氟化镓
• 英文名称: gallium trifluoride
• 英文别名: gallium fluoride；gallium(III) fluoride；gallium;trifluoride
• CAS: 7783-51-9
• 化学式: F₃Ga
• 分子量: 126.718
• InChiKey: WXXZSFJVAMRMPV-UHFFFAOYSA-K

物化性质

• 熔点：
  800°C
• 沸点：
  1000°C
• 密度：
  4.47 g/mL at 25 °C(lit.)
• 闪点：
  1000°C
• 溶解度：
  不溶于水
• 暴露限值：
  a/nm
• 稳定性/保质期：

  如果按照规格使用和储存，则不会分解。其在100克水中溶解度为0.002克，稍溶于碱金属氢氧化物水溶液中，但难溶于稀酸。该物质在空气中稳定，不易发生变化。应避免接触酸、水分或潮湿环境。

计算性质

• 辛醇/水分配系数(LogP)：
  0.88
• 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：
  0
• 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

• TSCA：
  Yes
• 危险等级：
  8
• 危险品标志：
  Xn,Xi
• 危险类别码：
  R20/21/22
• 危险品运输编号：
  UN3260
• 包装等级：
  III
• 安全说明：
  S36
• 危险标志：
  GHS07
• 危险性描述：
  H302 + H312 + H332
• 危险性防范说明：
  P261,P280,P301 + P312 + P330
• 储存条件：
  在干性保护气体中处理，并保持贮藏容器密封。将其存放在阴凉、干燥处，放入紧密的容器中储存。

SDS

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Section 1: Product Identification
Chemical Name: Gallium (III) fluoride trihydrate, 99.5%
CAS Registry Number: 7783-51-9
Formula: GaF3.3H2O
EINECS Number: 232-004-5
Chemical Family: metal halide
Synonym: Gallium trifluoride

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 7783-51-9 100% 2.5mg/m3 (as F) 2.5mg/m3 (as F)

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Section 3: Hazards Identification
Emergency Overview: Irritating to the respiratory tract, skin and eyes. May be harmful if swallowed.
Primary Routes of Exposure: Ingestion, inhalation, skin, eyes
Eye Contact: Irritating to the eyes. may cause serious eye damage. Effects may not immediately appear.
Skin Contact: Prolonged contact with skin causes irritation.
Inhalation: Dust or hydrofluoric acid fumes cause severe irritation to the respiratory tract.
Ingestion: May cause salivation, nausea, vomiting, diarrhea, and painful abdominal burns.
Irritating to skin, eyes and respiratory tract. Fluoride poisoning may cause nausea, vomiting, diarrhea,
Acute Health Affects:
weakness, coma, and respiratory paralysis.
Product contains fluorine which, under certain conditions of use, decomposition or metabolism, may generate
Chronic Health Affects: fluoride ion causing nausea, vomiting, labored breathing, hypocalcaemia, deterioration of bone and tooth
structure and kidney and liver damage.
NTP: No
IARC: No
OSHA: No

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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.
Wash the affected area with water. Remove contaminated clothes if necessary. Apply calcium gluconate jelly
Skin Exposure:
or water soluble calcium salts as antidote. Seek medical assistance.
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.

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SECTION 5: Fire Fighting Measures
Flash Point: not applicable
Autoignition Temperature: none
Explosion Limits: none
Extinguishing Medium: none required
If involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure self-contained
Special Fire Fighting Procedures:
breathing apparatus and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit corrosive hydrogen fluoride fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

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SECTION 6: Accidental Release Measures
To avoid raising dust, small spills can be mixed with powdered sodium bicarbonate, lime, or calcium carbonate
Spill and Leak Procedures:
and swept up.

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SECTION 7: Handling and Storage
Store material in a tightly sealed bottle away from moisture. If possible, handle material in an efficient fume
Handling and Storage:
hood. Prolonged exposure to the atmosphere may lead to degradation of the product.

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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 appropriate chemical resistant gloves and protective clothing.
Ventilation: If possible, handle the material in an efficient fume hood.
If in form of fine dust and ventilation is not available a respirator should be worn. The use of respirators
Respirator:
requires a Respirator Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: If possible, handle the material in an efficient fume hood.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: white xtl.
Molecular Weight: 126.72 (180.76)
Melting Point: no data
Boiling Point: no data
Vapor Pressure: not applicable
Specific Gravity: no data
Odor: none
Solubility in Water: insoluble

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SECTION 10: Stability and Reactivity
Stability: air and moisture stable
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: contact with moisture
Incompatibility: Mineral acids and active metals
Decomposition Products: with moisture: hydrofluoric acid and gallium oxides

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

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SECTION 12: Ecological Information
Ecological Information: No information available

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

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SECTION 14: Transportation
Shipping Name (CFR): Non-hazardous
Hazard Class (CFR): NA
Additional Hazard Class (CFR): NA
Packaging Group (CFR): NA
UN ID Number (CFR): NA
Shipping Name (IATA): Non-hazardous
Hazard Class (IATA): NA
Additional Hazard Class (IATA): NA
Packaging Group (IATA): NA
UN ID Number (IATA): NA

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

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

三氟化镓三水合物可用于制备长碳链烯烃。以天然醇或酯（包括碳原子数为6至18的伯醇、仲醇、伯酯和仲酯中的一种或多种）作为反应底物，经气化后通过装有催化剂的反应器进行反应。产物分离后可得到所需的长碳链烯烃。

该催化剂是由金属氟化物与氧化物混合而成，其中金属氟化物的质量百分比为8%至100%，而氧化物的重量百分比则为0%至90%。所使用的金属氟化物包括三氟化铝、三氟化铬或三氟化镓三水合物中的一种或多种；同时，氧化物可以是氧化铝或二氧化硅中的一种或多种。

本发明的主要优点在于提供了一种高效且环保的方法与设备，用于从天然醇或酯制备长碳链烯烃。

反应信息

• 作为反应物：
  描述：

  三氟化镓 、 sodium fluoride 在 Cu fluoride 作用下， 以 neat (no solvent, solid phase) 为溶剂， 生成
  参考文献：
  名称：

  Ruchaud, N.; Grannec, J.; Gravereau, P., Zeitschrift fur Anorganische und Allgemeine Chemie

  摘要：

  DOI：
• 作为产物：
  描述：

  ammonium hexafluorogallate(III) 在 F₂ 作用下， 以 neat (no solvent) 为溶剂， 生成 三氟化镓
  参考文献：
  名称：

  Die ersten oligomeren Anionen bei Fluoro-Litho-Metallaten mit Oktaeder-Sandwich-Motiv: Cs4K{[F3MIIIF3]Li[F3MIIIF3]}, MIII = Ga, Fe [1]

  摘要：

  AbstractDurch Festkörperreaktionen wurden aus innigen Gemengen der entsprechenden binären Fluoride erstmals Fluoro‐Litho‐Metallate des neuen Typs Cs4K{Li[Ga2F12]} (A) und Cs4K{Li[Fe2F12]} (B) in Form farbloser Einkristalle dargestellt (Pt‐Rohr, 750°C, 40 d). Einkristalluntersuchungen belegen die trigonalen Elementarzellen mit (A) a = 631,3(1)pm und c = 3059,9(6)pm bzw. (B) a = 635,0(1)pm und c = 3089,2(7)pm (Z = 3, Guinier‐Simon‐Daten, Cu‐Kα1). Die Verbindungen kristallisieren isotyp in der Raumgruppe R3m (Nr. 166). Die Strukturbestimmungen erfolgten mittels Vierkreisdiffraktometerdaten (Siemens AED 2) mit (A) R = 2,95%, 3627 Io bzw. (B) R = 1,86%, 4179 Io (SHELX‐76). Charakteristisch für die Struktur sind Oktaedertripel längs [00.1] (Kationenfolge MIIILiMIII), von denen jeweils sechs über gemeinsame Ecken von den Einzeloktaedern [KF6] dreidimensional verknüpft werden und umgekehrt. Die ‚Hohlräume’︁ dieses Strukturteils sind durch Cs+ aufgefüllt. Der Madelung‐Anteil der Gitterenergie (MAPLE), Mittlere Fiktive Ionenradien (MEFIR) sowie Effektive Koordinationszahlen (ECoN) wurden berechnet und verglichen. Die Einordnung der Verbindungen als Litho‐Metallate wird mit Hilfe eines neuen MAPLE‐Konzeptes überprüft und begründet. Die Ladungsverteilung wurde nach dem CHARDI‐Konzept berechnet und mit den Werten nach ‚bond length‐bond strength’︁ verglichen.

  DOI：

  10.1002/zaac.19966220216

文献信息

• Struktur- und magnetochemische Untersuchungen an KCuGaF6
  作者：P. Dahlke、J. Pebler、D. Babel

  DOI：10.1002/zaac.200400436

  日期：2005.1

  Die oktaedrischen [GaF6]- und [CuF6]-Koordinationen sind schwach bzw. stark verzerrt (Mittelwerte Ga-F: 188, 2 pm bzw. Cu-F: 188, 2/200, 1/227, 6 pm). Die langsten Abstande Ga-F und die kurzesten Cu-F zeigen sich in langs [100] bzw. [001] verlaufenden Oktaederketten der beiden Atomsorten, die auch untereinander verbruckt sind (M-F-M zwischen 114 und 145°). Die am Pulver und einem Einkristall gemessenen

  KCuGaF6 的晶体结构是根据单晶 X 射线数据确定的（对于 2476 次独立反射，wR2 = 0.084）。该化合物在与烧绿石相关的 KCuCrF6 的空间群 P21/c 中以 a = 728.56(4), b = 989.51(6), c = 676.27(3) pm, β = 93.120(5)°, Z = 4 结晶类型。八面体 [GaF6] 和 [CuF6] 配位分别较弱和强烈扭曲（平均值 Ga-F：188.2 pm 和 Cu-F：188.2/200.1/227.6 pm）。最长距离的 Ga-F 和最短的 Cu-F 存在于两种原子的 [100] 和 [001] 八面体链中，它们也相互桥接（MFM 在 114 和 145° 之间）。在粉末和单晶上测量的磁摩尔磁化率可以用 S = 1/2 的各向同性海森堡模型来描述，如果以顺磁性部分的形式考虑链终止效应。可以观察到低至 T = 2 K
• Preparation and Characterization of the Binary Group 13 Azides M(N3)3 and M(N3)3⋅CH3CN (M=Ga, In, Tl), [Ga(N3)5]2−, and [M(N3)6]3− (M=In, Tl)
  作者：Ralf Haiges、Jerry A. Boatz、Jodi M. Williams、Karl O. Christe

  DOI：10.1002/anie.201103101

  日期：2011.9.12

  caution: The use of fluoride starting materials and SO2 as a solvent yields neat triazides M(N3)3 (M=Ga, In, Tl), thus firmly establishing the existence of thallium triazide. In CH3CN, the new M(N3)3⋅CH3CN donor–acceptor adducts were obtained. Reactions of the triazides with tetraphenylphosphonium azide in CH3CN yields exclusively the novel [Ga(N3)5]2−, [In(N3)6]3− and [Tl(N3)6]3− anions (see picture, M green

  谨慎进行：使用氟化物原料和SO 2作为溶剂会产生纯净的三叠氮化物M（N 3）3（M = Ga，In，Tl），因此牢固地确定了三叠氮化th的存在。在CH 3 CN中，新的M（N 3）3 ⋅CH 3获得CN供体-受体加合物。三叠氮化物与叠氮化四苯基phosph在CH 3 CN中的反应仅产生新的[Ga（N 3）5 ] 2−，[In（N 3）6 ] 3−和[Tl（N 3）6 ] 3− 阴离子（参见图片，M绿色，N蓝色）。
• ESR study of Cr3+ and Fe3+ ions in KGaF4 single crystals
  作者：G. Courbion、J.V. Randrianohavy、J.J. Rousseau

  DOI：10.1016/0022-4596(89)90016-9

  日期：1989.8

  KGaF4 (Pnma, a = 12.211(7), Å, b = 7.496(2), Å, c = 7.635(3), Å, Z = 8) accurate X-ray structure determination has been carried out from 1754 reflections at room temperature (R = 0.0256, Rw = 0.0312). An accurate determination of spin Hamiltonian parameters for Cr3+ and Fe3+ ions in this host compound has been achieved. Intrinsic superposition model parameters are deduced and the validity of the model

  KGaF 4（Pnma，a = 12.211（7），Å，b = 7.496（2），Å，c = 7.635（3），Å，Z = 8）从1754处反射进行了精确的X射线结构测定室温（R = 0.0256，R w = 0.0312）。已精确测定了该主体化合物中Cr 3+和Fe 3+离子的自旋哈密顿量参数。推导了本征叠加模型的参数，并讨论了这种低对称情况下模型的有效性。已经检测到在约465 K处发生结构相变。
• Zur Kristallstruktur von Pyrochloren: Mössbauer-Spektrum von orthorhombischem CsFe2F6 und röntgenographische Einkristall-Untersuchungen an den kubischen Verbindungen CsMgGaF6, CsMIIVIIIF6 (MII = Mn, Zn), CsMIIFeIIIF6 (MII = Mn, Cu, Zn) und Cs4Cu5V3O2F19
  作者：Elke Baum、Patrik Dahlke、Volker Kaiser、Michel Molinier、Roland E. Schmidt、Jürgen Pebler、Werner Massa、Dietrich Babel

  DOI：10.1002/zaac.200600138

  日期：2006.10

  On the Crystal Structure of Pyrochlores: Mossbauer Spectra of Orthorhombic CsFe2F6 and X-Ray Single Crystal Studies of the Cubic Compounds CsMgGaF6, CsMIIVIIIF6 (MII = Mn, Zn), CsMIIFeIIIF6 (MII = Mn, Cu, Zn), and Cs4Cu5V3O2F19 Orthorhombic CsFe2F6 (a = 749.1(3), b = 723.8(3), c = 1043.1(6) pm; V = 565.6(9) A3, Z = 4, Imma ?) was prepared with strongly 57Fe doped FeF3 and its Mossbauer spectra measured

  关于烧绿石的晶体结构：正交晶系 CsFe2F6 的穆斯堡尔光谱和立方化合物 CsMgGaF6、CsMIIVIIIF6（MII = Mn、Zn）、CsMIIFeIIIF6（MII = Mn、Cu、Zn6、Cu、Mn）的 X 射线单晶研究ZnF19) 和 CsFhomb2Cu a = 749.1 (3), b = 723.8 (3), c = 1043.1 (6) pm; V = 565.6 (9) A3, Z = 4, Imma?) 是用强掺杂的 57Fe FeF3 和其穆斯堡尔谱测量。它与天然 57 Fe 丰度样品的光谱一致，也与强度比 FeII: FeIII = 1: 1 一致。尽管淬火后形成有序的烧绿石结构，因此电子诱导的相变应该是负责任的，这解释了在所有混合价烧绿石 AIMIIMIIIF6 中观察到的 MII / MIII 顺序。相比之下，CsMgGaF6 (a = 1021.6 (1)
• Accurate heteronuclear J-coupling measurements in dilute spin systems using the multiple-quantum filtered J-resolved experiment
  作者：Charlotte Martineau、Franck Fayon、Christophe Legein、Jean-Yves Buzar?、Gilles Silly、Dominique Massiot

  DOI：10.1039/b703321d

  日期：——

  A new solid-state MAS NMR experiment is proposed to accurately measure heteronuclear 19F–207Pb J-coupling constants, even though these couplings are not visible on high speed 19F 1D MAS spectra; in particular, we demonstrate that the J-resolved experiment combined with scalar multiple-quantum filtering considerably improves the resolution of J-multiplet patterns for dilute spin systems.

  提出了一种新的固态MAS NMR实验，以准确测量异核19F–207Pb J耦合常数，尽管这些耦合在高速19F 1D MAS光谱中不可见；特别是，我们展示了J分辨实验与标量多量子滤波相结合显著提高了稀疏自旋系统J多重谱特征的分辨率。