959698-44-3

• 常用中文名：三丁基(2-甲氧基乙基)磷双三氟甲基磺酰亚胺
• 常用英文名：Tributyl(2-methoxyethyl)phosphonium Bis(trifluoromethanesulfonyl)imide
• CAS号：959698-44-3
• 分子式：C₁₇H₃₄F₆NO₅PS₂
• 分子量：541.55000
• 相关类别： 化学试剂 有机试剂 离子液体
• 发布时间：2018-10-22 19:46:40
• 更新时间：2024-02-02 08:11:24

• 这是一个非常有用的有机反应溶剂.与普通的离子液体相比较，它允许使用强碱性脂肪族格氏试剂，得到高产率的相关对应产品.¹⁾ 在这个反应中, 三丁基(2-甲氧基乙基)磷双(三氟甲基磺酰)亚胺可以回收和再循环使用，作为一个非常有用的离子液体已经受到了广泛的关注。

  

名称

• 中文名: 三丁基(2-甲氧基乙基)磷双(三氟甲基磺酰)亚胺
• 英文名: Tributyl(2-methoxyethyl)phosphonium Bis(trifluoromethanesulfonyl)imide
• 中文别名: 三丁基(2-甲氧基乙基)磷双三氟甲基磺酰亚胺
• 英文别名: bis(trifluoromethylsulfonyl)azanide,tributyl(2-methoxyethyl)phosphanium

物化性质

• 密度: 1.44
• 熔点: 9.5℃ (acetone )
• 分子式: C₁₇H₃₄F₆NO₅PS₂
• 分子量: 541.55000
• 精确质量: 541.15200
• PSA: 107.86000
• LogP: 8.27160
• 外观性状: 液体;Colorless to Almost colorless clear liquid
• 折射率: 1.4380 to 1.4420
• 储存条件: 2-8℃
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:12

  4.可旋转化学键数量:14

  5.互变异构体数量:无

  6.拓扑分子极性表面积95.3

  7.重原子数量:32

  8.表面电荷:0

  9.复杂度:511

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:2

• 更多:

  1.性状：无色-极淡的黄色透明液体

  2.密度：1.25

MSDS

Section I.Chemical Product and Company Identification Chemical NameTributyl(2-methoxyethyl)phosphonium Bis(trifluoromethanesulfonyl)imide Portland OR SynonymPhosphonium, tributyl(2-methoxyethyl)-, salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl] methanesulfonamide (1:1) (CA INDEX NAME) Chemical FormulaC17H34F6NO5P 959698-44-3 CAS Number Section II.Composition and Information on Ingredients Chemical NameCAS Number Percent (%)TLV/PELToxicology Data Tributyl(2-methoxyethyl)phosphonium959698-44-3 Min. 95.0 (N) Not available.Not available. Bis(trifluoromethanesulfonyl)imide Section III. Hazards Identification Acute Health EffectsIrritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Chronic Health EffectsCARCINOGENIC EFFECTS : Not available. MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Section IV.First Aid Measures Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical attention. Skin ContactIn case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention. If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or Inhalation waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not improve. IngestionINDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material was ingested; the absence of such signs, however, is not conclusive. Section V.Fire and Explosion Data Not available. May be combustible at high temperature.Auto-Ignition Flammability Flash PointsFlammable LimitsNot available. Not available. These products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2), halogenated compounds, phosphates. Combustion Products WARNING: Highly toxic HF gas is produced during combustion. Fire Hazards Not available. Explosion HazardsRisks of explosion of the product in presence of mechanical impact: Not available. Risks of explosion of the product in presence of static discharge: Not available. Fire Fighting MediaSMALL FIRE: Use DRY chemical powder. LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet. and Instructions Consult with local fire authorities before attempting large scale fire-fighting operations. Continued on Next Page Tributyl(2-methoxyethyl)phosphonium Bis(trifluoromethanesulfonyl)imide Section VI.Accidental Release Measures Spill CleanupIrritating material. Absorb with an inert material and put the spilled material in an appropriate waste disposal. Finish cleaning the spill by rinsing Instructions any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on disposal. Section VII. Handling and Storage IRRITANT. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a Handling and Storage dry, cool place. Avoid excessive heat and light. Do not breathe gas/fumes/ vapor/spray. Information Always store away from incompatible compounds such as oxidizing agents. Section VIII. Exposure Controls/Personal Protection Engineering ControlsProvide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location. Personal ProtectionSplash goggles. Lab coat. Vapor respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent. Not available. Exposure Limits Section IX. Physical and Chemical Properties Physical state @ 20°CLiquid. (Clear, colorless ~ light yellow.)SolubilityNot available. 1.25 (water=1) Specific Gravity Molecular Weight477.42Partition CoefficientNot available. Boiling PointNot available.Not available. Vapor Pressure Melting PointNot available.Vapor DensityNot available. 1.2450 - 1.2490Not available. Refractive IndexVolatility Critical TemperatureNot available.OdorNot available. Not available.Not available. ViscosityTaste Section X.Stability and Reactivity Data This material is stable if stored under proper conditions. (See Section VII for instructions) Stability Conditions of InstabilityAvoid excessive heat and light. IncompatibilitiesReactive with oxidizing agents. Section XI. Toxicological Information RTECS NumberNot available. Eye Contact. Ingestion. Inhalation. Routes of Exposure Not available. Toxicity Data CARCINOGENIC EFFECTS : Not available. Chronic Toxic Effects MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye Acute Toxic Effects is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Section XII.Ecological Information EcotoxicityNot available. Environmental FateNot available. Continued on Next Page Tributyl(2-methoxyethyl)phosphonium Bis(trifluoromethanesulfonyl)imide Section XIII. Disposal Considerations Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a Waste Disposal combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section XIV. Transport Information DOT ClassificationNot a DOT controlled material (United States). Not applicable. PIN Number Proper Shipping NameNot applicable. Not applicable. Packing Group (PG) DOT Pictograms Section XV. Other Regulatory Information and Pictograms TSCA Chemical InventoryThis product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40 CFR 720.36 (C) for those products not on the inventory list: (EPA) (i) These products are supplied solely for use in research and development by or under the supervision of a technically qualified individual as defined in 40 CFR 720.0 et sec. (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be supplied on an MSDS sheet. WHMIS ClassificationNot available. (Canada) EINECS Number (EEC)Not available. EEC Risk StatementsR36/37/38- Irritating to eyes, respiratory system and skin. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi