1-ethyl-3-methyl-1H-imidazol-3-ium; dicyanoazanide

• ChemBase编号: 141814
• 分子式: C8H11N5
• 平均质量: 177.20644
• 单一同位素质量: 177.10144538
• SMILES: CCn1cc[n+](c1)C.C(#N)[N-]C#N
• Canonical SMILES: CCn1cc[n+](c1)C.N#C[N-]C#N
• InChI: InChI=1S/C6H11N2.C2N3/c1-3-8-5-4-7(2)6-8;3-1-5-2-4/h4-6H,3H2,1-2H3;/q+1;-1
• InChIKey: MKHFCTXNDRMIDR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-ethyl-3-methyl-1H-imidazol-3-ium; dicyanoazanide
• IUPAC传统名: 1-ethyl-3-methylimidazolium; dicyanoazanide
• 别名: 1-乙基-3-甲基咪唑二氨腈; Basionics® VS 03; EMIM DCA; 1-Ethyl-3-methylimidazolium dicyanamide

登记号

• CAS号: 370865-89-7
• MDL号: MFCD08276373
• PubChem SID: 24845075; 162236048
• PubChem CID: 11159638

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -3.1130686
• LogD (pH = 7.4): -3.1130686
• Log P: -3.1130686
• 摩尔折射率: 33.6013 cm^3
• 极化性: 12.75589 Å^3
• 极化表面积: 8.81 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38; 22-36/38
• 安全公开号: 26; 26-36/37
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319; H302-H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P280H-P305+P351+P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥98.0% (metals basis); ≥98.5% (HPLC/T); 98%
• 级别: produced by BASF
• 杂质: ≤0.5% water; ≤1.0% water
• Empirical Formula (Hill Notation): C8H11N5

详细说明

Sigma Aldrich - 713384

包装
1 kg in glass bottle
100 g in glass bottle
法律信息
Basionics 注册商标 BASF SE
Protocols & Applications
Ionic Liquids for Energy Storage Applications