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1-丁基-3-甲基咪唑三氟甲烷磺酸盐

1-butyl-3-methylimidazolium trifluoromethansulfonate

  • 分子式：C9H15F3N2O3S
  • 分子量：288.29
  • CAS编号：174899-66-2
  • 纯度：99%

  • 基本信息

    产品名称： 1-丁基-3-甲基咪唑三氟甲烷磺酸盐
    英文名称： 1-butyl-3-methylimidazolium trifluoromethanesulfonate
    CAS编号： 174899-66-2 简      写： BMImOTf
    分 子 式 ： C9H15F3N2O3S 分 子 量 ： 288.29
    纯      度： 99% 产品编号： CP0090

  • 物性数据

    项目 数据 测试条件 备注 数据来源
    long-term热稳定性  ℃ 158.7 2014客户文章
    表面张力  mN/m 35.2  25℃,101KPa  液体, Wilhelmy Plate  ILThermo
    纯度H2O  ppm 1125   323-343K真空干燥24h 2012客户文章
    电导率  mS/cm 2.9  25℃,101KPa  液体, Alternating current cell with electrodes  ILThermo
    密度  g/mL 1.2977  25℃,101KPa  液体, Vibrating tube method  ILThermo
    密度  g/mL 1.29 20℃ 323-343K真空干燥24h 2012客户文章
    热导率  W/(m.K) 0.147 293.00K   2014客户文章
    热分解onset温度  ℃ 393     2014客户文章
    热分解peak温度  ℃ 426     2014客户文章
    热分解start温度  ℃ 354     2014客户文章
    熔点  ℃ 15    DSC/DTA  ILThermo
    粘度  cP 82  25℃,101KPa  液体, Falling or rolling sphere viscometry  ILThermo
    折光率   1.4376  25℃,101KPa  液体, Standard Abbe refractometry  ILThermo
    折光率   1.433     2012客户文章

  • 参考谱图

    1-丁基-3-甲基咪唑三氟甲烷磺酸盐,BMImOTf,174899-66-2,1-butyl-3-methylimidazolium trifluoromethanesulfonate,核磁 NMR, H谱, 氘代丙酮
    1-丁基-3-甲基咪唑三氟甲烷磺酸盐,BMImOTf,174899-66-2,1-butyl-3-methylimidazolium trifluoromethanesulfonate,核磁 NMR, H谱, 氘代丙酮
    1-丁基-3-甲基咪唑三氟甲烷磺酸盐,BMImOTf,174899-66-2,1-butyl-3-methylimidazolium trifluoromethanesulfonate,核磁 NMR, C谱, 氘代丙酮
    1-丁基-3-甲基咪唑三氟甲烷磺酸盐,BMImOTf,174899-66-2,1-butyl-3-methylimidazolium trifluoromethanesulfonate,核磁 NMR, C谱, 氘代丙酮

  • 安全信息

    Code
    Hazard Statement
    Source
    H412
    Harmful to aquatic life with long lasting effects
    European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling according to CLP criteria
    H411
    Toxic to aquatic life with long lasting effects
    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, Merck Life Science OY (Sigma-Aldrich)
    H401
    Toxic to aquatic life
    Merck Life Science OY (Sigma-Aldrich)
    H335
    May cause respiratory irritation
    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
    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, Merck Life Science OY (Sigma-Aldrich)
    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, Merck Life Science OY (Sigma-Aldrich)
    H314
    Causes severe skin burns and eye damage
    Expert Curated
    H312
    Harmful in contact with skin
    Expert Curated
    H302
    Harmful if swallowed
    European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling according to CLP criteria
    H301
    Toxic if swallowed
    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, Merck Life Science OY (Sigma-Aldrich)

  • Other Names and Identifiers

    Canonical SMILES
    O=S(=O)([O-])C(F)(F)F.C1=C[N+](=CN1C)CCCC
    InChI
    InChI=1S/C8H15N2.CHF3O3S/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)8(5,6)7/h6-8H,3-5H2,1-2H3;(H,5,6,7)/q+1;/p-1
    InChI Key
    FRZPYEHDSAQGAS-UHFFFAOYSA-M
    16 Other Names for this Substance
    • 1H-Imidazolium, 1-butyl-3-methyl-, salt with trifluoromethanesulfonic acid (1:1) (9CI)
    • 1-Butyl-3-methyl-1H-imidazolium salt with trifluoromethanesulfonic acid (1:1)
    • 1-Butyl-3-methyl-1H-imidazolium trifluoromethanesulfonate
    • 1-Butyl-3-methylimidazolium triflate
    • 1-Butyl-3-methylimidazolium trifluoromethanesufonate
    • 1-Butyl-3-methylimidazolium trifluoromethanesulfonate
    • 1-Butyl-3-methylimidazolium trifluoromethanesulfonate(1-)
    • 1-Butyl-3-methylimidazolium trifluoromethansulfonate
    • 1-Methyl-3-butylimidazolium trifluoromethanesulfonate
    • 1-Methyl-3-butylimidazolium trifluoromethylsulfonate
    • 1-n-Butyl-3-methylimidazolium triflate
    • 3-Butyl-1-methylimidazolium triflate
    • [MIM][OTf]
    • B 2337
    • Bmim triflate
    • Butylmethylimidazolium trifluoromethanesulfonate

  • 参考文献

    Experimental Properties

    Acoustic

    Biological

    Chemical

    Density

    Electrical

    Flow and Diffusion

    Interface

    Lipinski

    Mechanical

    Optical and Scattering

    Structure Related

    Thermal

    Experimental Spectra

    1H-NMR

    13C-NMR

    Additional Spectra

    hetero NMR

    IR

    Mass

    Raman

    UV and Visible