1-butyl-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonate

• ChemBase编号: 139626
• 分子式: C9H15F3N2O3S
• 平均质量: 288.2872096
• 单一同位素质量: 288.07554801
• SMILES: CCCCn1cc[n+](c1)C.C(F)(F)(F)S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)C(F)(F)F.CCCCn1cc[n+](c1)C
• 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
• InChIKey: FRZPYEHDSAQGAS-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 1-butyl-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonate
• IUPAC传统名: 1-butyl-3-methylimidazolium triflate
• 别名: 1-正-丁基-3-甲基咪唑鎓 三氟甲烷磺酸盐; 1-丁基-3-甲基咪唑鎓三氟甲磺酸盐; 1-n-Butyl-3-methylimidazolium triflate; 1-n-Butyl-3-methylimidazolium trifluoromethanesulfonate; Basionics® VS 12; BMIM Otf; 1-Butyl-3-methylimidazolium trifluoromethanesulfonate

登记号

• CAS号: 174899-66-2
• EC号: 000-000-0
• MDL号: MFCD03427620
• PubChem SID: 24886987; 162233874
• PubChem CID: 2734246

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -2.1459775
• LogD (pH = 7.4): -2.1459775
• Log P: -2.1459775
• 摩尔折射率: 42.7263 cm^3
• 极化性: 16.443125 Å^3
• 极化表面积: 8.81 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 16°C
• 闪点: >100 °C; >212 °F; None
• 密度: 1.292 g/mL at 20 °C(lit.); 1.295
• 折射率: 1.4390; n20/D 1.434

安全信息

• 保存注意事项: Hygroscopic
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 25-36/38-51/53; 36/38
• 安全公开号: 26-37; 26-45-61
• TSCA收录: 否
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Danger
• GHS危险声明: H301-H315-H319; H315-H319
• GHS警示性声明: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313; P301 + P310-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: ≥95.0% (H-NMR); ≥98%; 98%
• 级别: BASF quality
• 杂质: ≤0.5% water
• Empirical Formula (Hill Notation): C9H15F3N2O3S

详细说明

Sigma Aldrich - 711772

General description
produced by Sigma-Aldrich, production and use of trademark licensed from BASF
包装
1 kg in glass bottle
100 g in glass bottle
法律信息
Basionics 注册商标 BASF SE

Sigma Aldrich - 76420

包装
5, 25 g in poly bottle

参考文献

• Ionic liquid.