magnesium triflimide | 133395-16-1

• 物质功能分类: 催化剂及助剂 - 催化剂
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: magnesium triflimide
• 英文别名: magnesium bis(trifluoromethane solfonyl)imide；magnesium bis(trifluoromethanesulfonyl)amide；magnesium bis(trifluoromethylsulfonyl)amide；magnesium bis(trifluoromethylsulfonyl)imide；magnesium bis-(trifluoromethanesulfonimide)；magnesium bistrifluoromethanesulfonimide
• CAS: 133395-16-1
• 化学式: 2C₂F₆NO₄S₂*Mg
• 分子量: 584.602
• InChiKey: WNQGLEABAGNIMF-UHFFFAOYSA-N

物化性质

• 熔点：
  >200℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.68
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  82.38
• 氢给体数：
  0.0
• 氢受体数：
  4.0

安全信息

• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S22,S26,S36/37/39,S45
• 危险类别码：
  R34
• WGK Germany：
  3
• 包装等级：
  II
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险品运输编号：
  1759
• 危险性描述：
  H314
• 储存条件：
  存放于惰性气体中，并避免接触湿气（吸湿）。

SDS

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Section 1: Product Identification
Chemical Name: Magnesium bis(trifluoromethylsulfonyl)imide
CAS Registry Number: 133395-16-1
Formula: C4F12MgN2O8S4
EINECS Number: none
Chemical Family: metal triflimide
Synonym: Magnesium bis-triflimide

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 133395-16-1 100% 2.5mg/m3 (as F) 2.5mg/m3 (as F)

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Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes and respiratory tract.
Primary Routes of Exposure: Ingestion, inhalation, eyes
Eye Contact: Causes slight to mild irritation of the eyes.
Skin Contact: Causes slight to mild irritation of the skin.
Inhalation: Irritating to the nose, mucous membranes and respiratory tract.
Ingestion: No information available on the physiological effects of ingestion. May be harmful if swallowed.
Acute Health Affects: Irritating to skin, eyes and respiratory tract.
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, 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. Seek medical assistance if
Skin Exposure:
irritation persists.
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: no data
Autoignition Temperature: none
Explosion Limits: none
Extinguishing Medium: carbon dioxide, dry powder or foam
If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
Special Fire Fighting Procedures:
self-contained breathing apparatus and full protective clothing.
Hazardous Combustion and This material may emit toxic fumes of hydrogen fluoride, carbonyl fluoride, and sulfur dioxide.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

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SECTION 6: Accidental Release Measures
Spill and Leak Procedures: Small spills can be mixed with vermiculite or sodium carbonate and swept up.

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SECTION 7: Handling and Storage
Store in a tightly sealed container under an inert atmosphere of nitrogen or argon. Keep in a cool, dry,
Handling and Storage:
well-ventilated place.

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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 protective clothing and gloves.
Ventilation: Handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: 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 powder
Molecular Weight: 584.6
Melting Point: >200°
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: none
Solubility in Water: insoluble

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SECTION 10: Stability and Reactivity
Stability: moisture sensitive
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: exposure to moisture
Incompatibility: oxidizing agents, active metals
Decomposition Products: carbonyl fluoride, carbon monoxide, organic fumes, hydrogen fluoride, sulfur dioxide, and metal salts.

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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: Not listed in the TSCA inventory
SARA (Title 313): Not regulated under SARA 313
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  magnesium triflimide 在 水 作用下， 以 氯仿 为溶剂， 生成 hexaaquomagnesium bis((trifluoromethyl)sulfonyl)amide dihydrate
  参考文献：
  名称：

  Mg2+配位模式和Mg[N(SO2CF3)2]2及其加合物中N(SO2CF3)2-阴离子构象的晶体学洞察

  摘要：

  双（三氟甲基磺酰基）酰胺镁（Mg[TFSA]2）及其加合物的结构-[Mg(L)n][TFSA]2-与常见的配体（L）如乙醇、乙酸乙酯和水，即[Mg(C2H5OH)4][TFSA]2、[Mg(C2H5OH)6][TFSA]2、[Mg(C2H5OOCCH3)2][TFSA]2、[Mg(H2O)2][TFSA]2，以及制备 [Mg(H2O)6][TFSA]2(H2O)2，并通过单晶 X 射线衍射和拉曼光谱对其进行表征。在每种情况下，Mg2+ 都与 TFSA- 和/或配体的六个 O 原子八面体配位。Mg[TFSA]2 的晶体结构表明存在无序的顺式 (12%) 和反式 (82%) 配体阴离子构象异构体。[Mg(C2H5OH)4][TFSA]2 似乎是配位化合物的一个新例子，其中 TFSA− 阴离子在与金属核键合时采用反式构象。晶体学数据使我们能够提出逐步 σ-供体配体与 Mg[TFSA]2 和 [Mg(L)n][TFSA]2

  DOI：

  10.1002/ejic.201601305
• 作为产物：
  描述：

  双三氟甲烷磺酰亚胺 在 水 、 magnesium 作用下， 以73 %的产率得到magnesium triflimide
  参考文献：
  名称：

  离子交换法制备含Mg2+的MOF及其高离子电导率

  摘要：

  我们首次报道了具有 A 型特征的含 Mg 2+ 金属有机骨架 (MOF) 的制备和离子电导率，即含有Mg 2+作为抗衡阳离子的阴离子骨架。我们通过简单的离子交换制备了 Mg 3 [(MnMo 6 O 18 ) 2 L] (L 12− = C{C 6 H 4 CH NC(CH 2 O) 3 } 4 12− ) (MOF-688-Mg)反应，并且在 MeCN 蒸汽下，在 25 °C时显示出高于 10 -5 S cm -1的高离子电导率。

  DOI：

  10.1039/d2dt02166h
• 作为试剂：
  描述：

  1-selenonaphthol 、 在 di-μ-acetato-bis(η4-1,5-cyclooctadiene)dirhodium(I) 、 C₆₄H₁₀₀O₄P₂Si₈ 、 magnesium triflimide 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 以89%的产率得到
  参考文献：
  名称：

  铑催化 1-炔基吲哚的不对称氢硒化反应用于乙烯基硒醚的天体选择性合成

  摘要：

  π-键的催化不对称氢官能化已被广泛研究，但提供阻转异构产物的炔烃的不对称氢官能化仍然严重不足。我们在此报告了使用硒酚对两类 1-炔基吲哚进行 [Rh(COD)OAc] 2 /Mg(NTf 2 ) 2催化的高度对转选择性氢化硒化，其中 Mg(II) 盐既活化了 Rh 催化剂，又提供了关键的 NTf 2阴离子对于催化活性和对映选择性至关重要，提供具有相对较低外消旋势垒的 C-N 轴向手性三取代烯烃 (Δ G ‡ ∼ 27 kcal/mol)。该催化体系具有活性高、反应条件温和、官能团耐受性好、区域选择性、( E )-和对映选择性高等特点。产物框架中的硒醚部分可以容易地官能化以得到合成有用的产物。

  DOI：

  10.1021/acscatal.4c03710

文献信息

• A simple access to metallic or onium bistrifluoromethanesulfonimide salts
  作者：Roman Arvai、Fabien Toulgoat、Bernard R. Langlois、Jean-Yves Sanchez、Maurice Médebielle

  DOI：10.1016/j.tet.2009.04.068

  日期：2009.7

  trialkyl sulfonium, quaternary ammonium or phosphonium halides to deliver the corresponding triflimide derivatives. N-Benzyl triflimide can be also reacted with di- or tri-alkylamines and phosphines to get benzyl onium salts. Analogous reactions can be carried out with N-allyl triflimide. Therefore, the TFSI anion can be very easily and expediently associated with a wide range of metallic or organic

  的（CF的许多盐3 SO 2）2 Ñ -阴离子，称为TFSI，是根据一个原始单罐方法制备。首先，将N-苄基三氟甲烷磺酰亚胺（N-苄基三氟酰亚胺）用乙醇处理以形成氧鎓中间体，然后将其用各种碱中和以提供金属或三烷基铵三氟酰亚胺盐。或者，将N-苄基三氟甲酰亚胺直接用三烷基sulf，季铵或phospho的卤化物处理以递送相应的三氟甲酸酯衍生物。ñ-三氟甲酰基苄基也可以与二或三烷基胺和膦反应以得到苄基鎓盐。可以用N-烯丙基三氟甲醚进行类似的反应。因此，TFSI阴离子可以非常容易且方便地与多种金属或有机阳离子缔合。这些盐可用作电池和燃料电池的电解质，离子液体或路易斯酸。
• How Cationic Metalloligands Affect the Coordination of Lewis Basic Ligands in Rh^I Complexes
  作者：Julian P. Schroers、Max N. Kliemann、John M. A. Kollath、Michael E. Tauchert

  DOI：10.1021/acs.organomet.1c00449

  日期：2021.12.13

  A series of RhI complexes featuring cationic diphosphinometal ligands (PMPn+) has been synthesized, and the effect of the dative RhI → Mn+ interactions on other ligands coordinated to the RhI center were studied. The Rh–CO bond strength in square pyramidal [(PMP)Rh(CO)X]n+-type complexes (X = Cl, H) is dominated by the charge of the metalloligand. Complex [(PZnP)Rh(CO)H](NTf2)2 (7) was evaluated for

  合成了一系列具有阳离子二膦金属配体（PMP n +）的Rh I配合物，并研究了配位Rh I → M n +相互作用对配位到Rh I中心的其他配体的影响。方锥体 [(PMP)Rh(CO)X] n +型配合物 (X = Cl, H) 中的 Rh-CO 键强度由金属配体的电荷决定。复合物[(PZnP)Rh(CO)H](NTf 2 ) 2 ( 7 ) 被评估其在加氢甲酰化催化中的能力。八面体的计算分析 [(PMP)Rh(CO) 2 H] n +模型配合物显示，随着金属配体原子序数的增加，Rh-CO 键与金属配体的反式增强。
• Homoleptic octahedral coordination of CH₃CN to Mg²⁺ in the Mg[N(SO₂CF₃)₂]₂–CH₃CN system
  作者：Gleb Veryasov、Kazuhiko Matsumoto、Rika Hagiwara

  DOI：10.1039/c5dt04821d

  日期：——

  The Mg²⁺ ion in the Mg[N(SO₂CF₃)₂]₂–CH₃CN system is surrounded by six acetonitrile molecules in both the solid and liquid states.

  在固态和液态状态下，Mg[N(SO₂CF₃)₂]₂–CH₃CN系统中的Mg²⁺离子被六个乙腈分子包围。
• Structural and Thermal Properties of Air‐Stable [Mg(1‐methylimidazole) ₆ ][N(SO ₂ CF ₃ ) ₂ ] ₂
  作者：Yushen Wang、Gleb Veryasov、Kazuhiko Matsumoto、Rika Hagiwara

  DOI：10.1002/ejic.201701124

  日期：2017.12.29

  diffraction. The compound crystallizes in the monoclinic system (space group P21/c) with a = 8.2062(7) Å, b = 11.3185(10) Å, c = 24.454(2) Å, β = 90.229(2)°, V = 2271.3(3) Å3, and Z = 2. The Mg2+ cation is octahedrally surrounded by six non‐methylated N atoms of MIm ligands to form the [Mg(MIm)6]2+ complex cation, in which three imidazolium rings are crystallographically independent. The interplanar

  空气稳定的镁盐，[Mg（MIm）6 ] [TFSA] 2 [MIm = 1-甲基咪唑；通过从Mg [TFSA] 2的MIm溶液中重结晶获得TFSA ＝双（三氟甲基磺酰基）酰胺。该化合物在密封条件下在481 K时熔化，而在未密封条件下在高温下（448 K，重量减少5％），其MIm降低。[Mg（MIm）6 ] [TFSA] 2的晶体结构通过X射线衍射测定。该化合物在单斜晶系统（空间群P 2 1 / c）中结晶，a = 8.2062（7）Å，b = 11.3185（10）Å，c = 24.454（2）Å，β= 90.229（2）°，V = 2271.3（3）3，和Ž = 2中的Mg 2+阳离子八面体由六个非甲基化的N原子包围MIM配体，以形成[镁（MIM）6 ] 2 +复杂阳离子，其中三个咪唑环在晶体学上是独立的。由于[Mg（MIm）6 ] 2的相互作用，两个咪唑环之间的平面角在理想模型中接近90°，分别为64
• Reversible electrodeposition and stripping of magnesium from solvate ionic liquid–tetrabutylammonium chloride mixtures
  作者：Pieter Geysens、Jan Fransaer、Koen Binnemans

  DOI：10.1039/d0ra08187f

  日期：——

  physicochemical properties of three new magnesium-containing solvate ionic liquids are reported. The solvation structures were analysed by Raman spectroscopy, revealing a solvent separated ion pair structure at room temperature. The reversible electrodeposition and stripping of magnesium from mixtures of these solvate ionic liquids and tetra-n-butylammonium chloride is described. The electrolytes are significantly

  报道了三种新型含镁溶剂化离子液体的物理化学性质。通过拉曼光谱分析溶剂化结构，揭示了室温下溶剂分离的离子对结构。描述了从这些溶剂化离子液体和四正丁基氯化铵的混合物中可逆电沉积和剥离镁。即使在高温下，电解质的挥发性也明显低于类似的稀电解质，并且在 80 °C 时沉积电流密度超过 1 A dm -2。采用循环伏安法和计时电位法研究了氯化物浓度对镁沉积的影响。研究发现，镁的剥离是由两个竞争反应控制的，并且需要向溶剂化离子液体中添加四丁基氯化铵，以防止钝化并有效地剥离沉积的镁。