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

• ChemBase编号: 136302
• 分子式: C9H18N2O3S
• 平均质量: 234.31582
• 单一同位素质量: 234.10381345
• SMILES: CCCCn1cc[n+](c1)C.CS(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)C.CCCCn1cc[n+](c1)C
• InChI: InChI=1S/C8H15N2.CH4O3S/c1-3-4-5-10-7-6-9(2)8-10;1-5(2,3)4/h6-8H,3-5H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
• InChIKey: PUHVBRXUKOGSBC-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 1-butyl-3-methyl-1H-imidazol-3-ium methanesulfonate
• IUPAC传统名: 1-butyl-3-methylimidazolium mesylate
• 别名: 1-丁基-3-甲基-1H-咪唑鎓甲磺酸盐; 1-丁基-3-甲基咪唑甲磺酸盐; 1-正丁基-3-甲基咪唑甲烷磺酸盐; 1-Butyl-3-methyl-1H-imidazolium methanesulfonate; 1-Butyl-3-methylimidazolium methanesulfonate; 1-n-Butyl-3-methylimidazolium methanesulfonate; Basionics® ST 78

登记号

• CAS号: 342789-81-5
• MDL号: MFCD06798173
• PubChem SID: 162230572; 24858690
• PubChem CID: 11492381

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: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 75-80 °C(lit.); 75-80°C
• 闪点: 119 °C; 119°C(246°F); 246.2 °F

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 有毒(Toxic) (T)
• 联合国危险货物编号: 3261; UN3261
• 德国WGK号: 2
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; III
• 危险公开号: 25-34-52/53; 34
• 安全公开号: 20-26-36/37/39-45; 26-36/37/39-45-61
• TSCA收录: 否
• GHS危险品标识: GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H314; H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P301 + P310-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

产品相关信息

• 纯度: ≥95%; 99%
• 级别: BASF quality; for energy applications
• 杂质: ≤0.5% water
• 痕量阴离子: chloride (Cl-): ≤2%
• Empirical Formula (Hill Notation): C9H18N2O3S

详细说明

Sigma Aldrich - 724394

Application
Capacitor technology, sensors, optical devices, magnetic fluids1,2
包装
5 g in glass bottle

Sigma Aldrich - 30881

General description
produced by Sigma-Aldrich, production and use of trademark licensed from BASF
Other Notes
根据要求提供批量采购价
包装
1 kg in glass bottle
100 g in glass bottle
Application
Basionic Ionic Liquids
法律信息
Basionics 注册商标 BASF SE