1-乙基-3-甲基咪唑三氟甲磺酸盐

1-Ethyl-3-methylimidazolium trifluoromethanesulfonate

HCID 2758874CAS 145022-44-2

子结构检索查找相似结构

基本信息

标准SMILES: CCn1cc[n+](C)c1.O=S(=O)([O-])C(F)(F)F
InChIKey: ZPTRYWVRCNOTAS-UHFFFAOYSA-M
分子式: C7H11F3N2O3S
平均分子量: 260.24 g/mol
单同位素质量: 260.04424787

概述

structure in first source

名称与标识

首选名称: 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate
IUPAC: 1-ethyl-3-methylimidazol-3-ium;trifluoromethanesulfonate
中文名: 1-乙基-3-甲基咪唑三氟甲磺酸盐
英文名: 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate
分子式: C7H11F3N2O3S
分子量: 260.23

名称与别名

145022-44-21-Ethyl-3-methylimidazolium trifluoromethanesulfonateDTXSID4047965DTXCID4027941RefChem:75746680-002-11-Ethyl-3-methylimidazolium Triflate1-ethyl-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonateMFCD00210008EMIM OtfC7H11F3N2O3S3-Ethyl-1-methyl-1H-imidazol-3-ium trifluoromethanesulfonate

展开更多名称

乙基甲基咪唑三氟甲磺酸盐1-乙基-3-甲基咪唑三氟甲磺酸1-乙基-3-甲基咪唑三氟甲磺酸盐1-乙基-3-甲基咪唑三氟甲基磺酸盐1-乙基-3-甲基咪唑鎓三氟甲磺酸盐1-乙基-3-甲基咪唑三氟甲烷磺酸盐1-乙基-3-甲基咪唑三氟甲磺酰亚胺1-乙基-3-甲基咪唑鎓三氟甲烷磺酸盐1-乙基-3-甲基咪唑啉三氟甲烷磺酸酯1-乙基-3-甲基咪唑三氟甲磺酸盐 25GSKL13931-Ethyl-Basionics? VS 111-Ethyl-3-methylimidazolium trifluoromet1-ETHYL-3-METHYL-IMIDAZOLIUM TRIFLUOROMEEMIM Otf 1-Ethyl-3-methylimidazolium TriflateEthyl-3-MethyliMidazoliuM trifluoroMethanesulfo1-Ethyl-3-methylimidazolium trifluoromethanesulfote

1-Ethyl-3-methylimidaz1-ethyl-3-methyl-imidazol-3-ium; trifluoromethanesulfonate[EMIM][TRIFLATE]1-ethyl-3-methyl-1h-imidazolium trifluoromethanesulfonateEC 680-002-1AKOS0159038711-ethyl-3-methylimidazol-3-ium;trifluoromethanesulfonate1-Ethyl-3-methylimidazolium Triflate; EMIMOtf

数据库标识

CAS: 145022-44-2
PubChem CID: 2758874
DTXSID: DTXSID4047965
ChEMBL: CHEMBL3560885
EC Number: 680-002-1

性质

结构计算性质

极性表面积: 74.4 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 1
重原子: 16
形式电荷: 0
复杂度: 218

实验与物化性质

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

物理化学性质

熔点: -12 °C · -12°C
沸点: 350 °C · >350 °C (lit.)
密度: 1.387 g/mL · 1.387 g/mL at 25 °C (lit.)
折射率: 20 · n20/D 1.435(lit.)
闪点: 230 °F · >230 °F
储存条件: 30 °C · Store below +30°C.
形态: clear liquid
颜色: Colorless to Light yellow to Light orange
水溶解性: Soluble in water.
InChI: InChI=1S/C6H11N2.CHF3O3S/c1-3-8-5-4-7(2)6-8;2-1(3,4)8(5,6)7/h4-6H,3H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey: ZPTRYWVRCNOTAS-UHFFFAOYSA-M
SMILES: N1(CC)C=C[N+](C)=C1.C(F)(F)(F)S([O-])(=O)=O
LogP: -2.5 · -2.5--2.2 at 23℃ and pH6.8
CAS 数据库: 145022 · 145022-44-2(CAS DataBase Reference)
ECW: 3.9 V · 3.9 V

安全与法规

GHS分类

GHS Classification · 3 条

This chemical does not meet GHS hazard criteria for 93% (107 of 115) of all reports.

Not Classified

Aggregated GHS information provided per 115 reports by companies from 4 notifications to the ECHA C&L Inventory.

危害信息

Regulatory InformationREACH registered substance: 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate (EC: 680-002-1)

Hazard Classes and CategoriesNot Classified

安全数据

F: 9-21
wgk: 3
危险等级: IRRITANT
存储类别: 10 - Combustible liquids
安全说明: 26-36-24/25
海关编码: 29332900
危险品标志: Xi
危险类别码: 36/38

化学与工业

应用领域

用途近来用于制备疏水性高导电环境温度熔盐,以及用于制备双嵌入熔融电解质电池。

试剂价格

E0494 · 5G: 1-乙基-3-甲基咪唑三氟甲烷磺酸盐1-Ethyl-3-methylimidazolium Trifluoromethanesulfonate — 665元
E0494 · 25G: 1-乙基-3-甲基咪唑三氟甲烷磺酸盐1-Ethyl-3-methylimidazolium Trifluoromethanesulfonate — 820元

供应商50 家

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

怀化元研达生物技术有限责任公司18711085600 · [email protected]

上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

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