三丁基(2-甲氧基乙基)磷双(三氟甲基磺酰)亚胺

三丁基(2-甲氧基乙基)磷双(三氟甲基磺酰)亚胺 基本信息
CAS号 959698-44-3 分子式 C17H34F6NO5PS2
分子量 541.55000 精确质量  541.15200
PSA  107.86000 LogP  8.27160

基本信息 展开↓

CAS号:
959698-44-3
分子式:
C17H34F6NO5PS2
分子量:
541.55000
中文名称:
三丁基(2-甲氧基乙基)磷双(三氟甲基磺酰)亚胺
英文名称:
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;
三丁基(2-甲氧基乙基)磷双三氟甲基磺酰亚胺
英文别名:
Tributyl(2-methoxyethyl)phosphonium Bis(trifluoromethanesulfonyl)imide;
bis(trifluoromethylsulfonyl)azanide,tributyl(2-methoxyethyl)phosphanium
精确分子量/精确质量:
541.15200
极性分子表面积/PSA:
107.86000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。

生产制备方法及用途展开↓

用途


        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。

 

物化性质展开↓

密度:
1.44
熔点:
9.5℃ (acetone )
其它信息:

1.性状:无色-极淡的黄色透明液体

2.密度:1.25

MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name        Tributyl(2-methoxyethyl)phosphonium    
    Bis(trifluoromethanesulfonyl)imide
    Portland OR
    Synonym        Phosphonium, tributyl(2-methoxyethyl)-, salt with    
    1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]
    methanesulfonamide (1:1) (CA INDEX NAME)
    Chemical Formula        C17H34F6NO5P    
    959698-44-3
    CAS Number

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    Tributyl(2-methoxyethyl)phosphonium        959698-44-3 Min. 95.0 (N) Not available.        Not available.    
    Bis(trifluoromethanesulfonyl)imide

Section III. Hazards Identification
    Acute Health Effects        Irritating 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 Effects        CARCINOGENIC 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 Contact        Check 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 Contact        In 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.
    Ingestion        INDUCE 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 Points        Flammable Limits        Not 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 Hazards        Risks 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 Media        SMALL 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 Cleanup        Irritating 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 Controls        Provide 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 Protection        Splash 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°C        Liquid. (Clear, colorless ~ light yellow.)        Solubility        Not available.    
    1.25 (water=1)
    Specific Gravity
    Molecular Weight        477.42        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Not available.    
    Vapor Pressure
    Melting Point        Not available.        Vapor Density        Not available.    
    1.2450 - 1.2490        Not available.    
    Refractive Index        Volatility    
    Critical Temperature        Not available.        Odor        Not available.    
    Not available.        Not available.    
    Viscosity        Taste    

Section X.        Stability and Reactivity Data    

This material is stable if stored under proper conditions. (See Section VII for instructions)
    Stability
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities        Reactive with oxidizing agents.    

Section XI. Toxicological Information
    RTECS Number        Not 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    
    Ecotoxicity        Not available.    
    Environmental Fate        Not 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 Classification        Not a DOT controlled material (United States).    
    Not applicable.
    PIN Number
    Proper Shipping Name        Not applicable.    
    Not applicable.
    Packing Group (PG)
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This 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 Classification        Not available.    
    (Canada)
    EINECS Number (EEC)        Not available.    
    EEC Risk Statements        R36/37/38- Irritating to eyes, respiratory system and skin.    


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据


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

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