1-苄基-3-甲基咪唑氯盐

1-Benzyl-3-methylimidazolium chloride

  • 分子式:C11H13ClN2
  • 分子量:208.69
  • CAS编号:36443-80-8
  • 纯度:99%
  • 基本信息

    产品名称: 1-苄基-3-甲基咪唑氯盐
    英文名称: 1-benzyl-3-methylimidazolium chloride
    CAS编号: 36443-80-8       写: BzMImCl
    分 子 式 : C11H13ClN2 分 子 量 : 208.69
          度: 99% 产品编号: CP0556
  • 物性数据

    项目 数据 测试条件 备注 数据来源
    密度  g/mL 1.1928  25℃,101KPa  液体, Vibrating tube method  ILThermo
    热分解温度  180     Alfa
    熔点  70      ILThermo
    粘度  cP 3725  25℃,101KPa  液体, Capillary tube (Ostwald; Ubbelohde) method  ILThermo
    折光率   1.5365  25℃,101KPa  液体, Standard Abbe refractometry  ILThermo
  • 参考谱图

    1-苄基-3-甲基咪唑氯盐,BzMImCl,36443-80-8,1-benzyl-3-methylimidazolium chloride,核磁 NMR, H谱, 氘代DMSO
    1-苄基-3-甲基咪唑氯盐,BzMImCl,36443-80-8,1-benzyl-3-methylimidazolium chloride,核磁 NMR, H谱, 氘代DMSO
  • 安全信息

    Code
    Hazard Statement
    Source
    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
    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, 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
  • Other Names and Identifiers

    Canonical SMILES
    [Cl-].C=1C=CC(=CC1)C[N+]=2C=CN(C2)C
    InChI
    InChI=1S/C11H13N2.ClH/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;/h2-8,10H,9H2,1H3;1H/q+1;/p-1
    InChI Key
    FCRZSGZCOGHOGF-UHFFFAOYSA-M
    8 Other Names for this Substance
    • 1H-Imidazolium, 1-methyl-3-(phenylmethyl)-, chloride (9CI)
    • 1-Benzyl-3-methyl-1H-imidazol-3-ium chloride
    • 1-Benzyl-3-methyl-1H-imidazolium chloride
    • 1-Benzyl-3-methyl-3H-imidazolium chloride
    • 1-Benzyl-3-methylimidazolium chloride
    • 1-Methyl-3-benzylimidazolium chloride
    • 3-Benzyl-1-methyl-1H-imidazol-3-ium chloride
    • 3-Benzyl-1-methyl-1H-imidazolium chloride
  • 参考文献

    Experimental Properties

    Chemical

    Lipinski

    Thermal

    Experimental Spectra

    1H-NMR

    13C-NMR

    hetero NMR

    IR

    Mass