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1-丁基-3-甲基咪唑三氟乙酸盐

1-butyl-3-methylimidazolium trifluoroacetate

  • 分子式：C10H15F3N2O2
  • 分子量：252.23
  • CAS编号：174899-94-6
  • 纯度：99%

  • 基本信息

    产品名称： 1-丁基-3-甲基咪唑三氟乙酸盐
    英文名称： 1-butyl-3-methylimidazolium trifluoroacetate
    CAS编号： 174899-94-6 简      写： BMImCF3COO
    分 子 式 ： C10H15F3N2O2 分 子 量 ： 252.23
    纯      度： 99% 产品编号： CP0091

  • 物性数据

    项目 数据 测试条件 备注 数据来源
    电导率  mS/cm 3.32  25℃,101KPa  液体, Alternating current cell with electrodes  ILThermo
    密度  g/mL 1.2155  25℃,101KPa  液体, Vibrating tube method  ILThermo
    热分解温度  ℃ 176      
    熔点  ℃ -40      
    粘度  cP 77  25℃,101KPa  液体, Cone and plate viscometry  ILThermo
    折光率   1.4427 16.1℃   实验实测

  • 参考谱图

    1-丁基-3-甲基咪唑三氟乙酸盐,BMImCF3COO,174899-94-6,1-butyl-3-methylimidazolium trifluoroacetate,核磁 NMR, H谱, 氘代DMSO
    1-丁基-3-甲基咪唑三氟乙酸盐,BMImCF3COO,174899-94-6,1-butyl-3-methylimidazolium trifluoroacetate,核磁 NMR, H谱, 氘代DMSO

  • 安全信息

    Code
    Hazard Statement
    Source
    H401
    Toxic to aquatic life
    Expert Curated
    H335
    May cause respiratory irritation
    European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most common notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most serious notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling according to CLP criteria, Expert Curated
    H333
    May be harmful if inhaled
    Expert Curated
    H319
    Causes serious eye irritation
    European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most common notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most serious notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling according to CLP criteria
    H318
    Causes serious eye damage
    Expert Curated
    H315
    Causes skin irritation
    European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most common notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most serious notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling according to CLP criteria, Expert Curated
    H302
    Harmful if swallowed
    Expert Curated

  • Other Names and Identifiers

    Canonical SMILES
    O=C([O-])C(F)(F)F.C1=C[N+](=CN1C)CCCC
    InChI
    InChI=1S/C8H15N2.C2HF3O2/c1-3-4-5-10-7-6-9(2)8-10;3-2(4,5)1(6)7/h6-8H,3-5H2,1-2H3;(H,6,7)/q+1;/p-1
    InChI Key
    QPDGLRRWSBZCHP-UHFFFAOYSA-M
    8 Other Names for this Substance
    • 1H-Imidazolium, 1-butyl-3-methyl-, salt with trifluoroacetic acid (1:1) (9CI)
    • 1-Butyl-3-methyl-1H-imidazolium salt with trifluoroacetic acid (1:1)
    • 1-Butyl-3-methyl-1H-imidazolium trifluoroacetate
    • 1-Butyl-3-methylimidazolium trifluoroacetate
    • 1-Methyl-3-butylimidazolium trifluoroacetate
    • 3-Butyl-1-methylimidazolium trifluoroacetate
    • [BMIM][CF3COO]
    • Butylmethylimidazolium trifluoroacetate

  • 参考文献

    Experimental Properties

    Density

    Electrical

    Flow and Diffusion

    Interface

    Structure Related

    Thermal

    Experimental Spectra

    1H-NMR

    13C-NMR

    Additional Spectra

    hetero NMR

    IR

    Mass

    Raman

    UV and Visible