1-辛基-3-甲基咪唑三氟甲烷磺酸盐
1-octyl-3-methylimidazolium trifluoromethanesulfonate
- 分子式：C13H23F3N2O3S
- 分子量：344.39
- CAS编号：403842-84-2
- 纯度：98%
基本信息
| 产品名称： | 1-辛基-3-甲基咪唑三氟甲烷磺酸盐 | ||
| 英文名称： | 1-octyl-3-methylimidazolium trifluoromethanesulfonate | ||
| CAS编号： | 403842-84-2 | 简 写： | OMImOTf |
| 分 子 式 ： | C13H23F3N2O3S | 分 子 量 ： | 344.39 |
| 纯 度： | 98% | 产品编号： | CP0141 |
物性数据
| 项目 | 数据 | 测试条件 | 备注 | 数据来源 |
| 密度 g/mL | 1.193 | 25℃,101KPa | 液体, Vibrating tube method | ILThermo |
| 热分解温度 ℃ | 290 | Alfa | ||
| 熔点 ℃ | 5 | DSC/DTA | ILThermo | |
| 粘度 cP | 490 | 20℃,101KPa | 液体, Cone and plate viscometry | ILThermo |
参考谱图
1-辛基-3-甲基咪唑三氟甲烷磺酸盐,OMImOTf,403842-84-2,1-octyl-3-methylimidazolium trifluoromethanesulfonate,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
O=S(=O)([O-])C(F)(F)F.C1=C[N+](=CN1C)CCCCCCCC
InChI
InChI=1S/C12H23N2.CHF3O3S/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;2-1(3,4)8(5,6)7/h10-12H,3-9H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChI Key
BCVMAYRUJBXMAP-UHFFFAOYSA-M
6 Other Names for this Substance
- 1H-Imidazolium, 1-methyl-3-octyl-, salt with trifluoromethanesulfonic acid (1:1) (9CI)
- 1-Methyl-3-octyl-1H-imidazolium trifluoromethanesulfonate
- 1-Methyl-3-octylimidazolium triflate
- 1-Methyl-3-octylimidazolium trifluoromethanesulfonate
- 1-Octyl-3-methylimidazolium triflate
- 1-Octyl-3-methylimidazolium trifluoromethanesulfonate
参考文献
Experimental Properties
Biological
Chemical
Density
- (1) Kolbeck, C.; Journal of Physical Chemistry B, (2009), 113(25), 8682-8688, CAplus
- (2) Bogdanov, Milen G.; Zeitschrift fuer Naturforschung, B: A Journal of Chemical Sciences, (2009), 64(2), 215-222, CAplus
- (3) Papaiconomou, Nicolas; Journal of Chemical & Engineering Data, (2006), 51(4), 1389-1393, CAplus
Electrical
Flow and Diffusion
Thermal
- (1) Papaiconomou, Nicolas; Journal of Chemical & Engineering Data, (2006), 51(4), 1389-1393, CAplus
- (2) Kulkarni, Prashant S.; Chemistry - A European Journal, (2007), 13(30), 8478-8488, CAplus
- (3) Kulkarni, Prashant S.; Chemistry - A European Journal, (2007), 13(30), 8478-8488, CAplus
- (4) Diedrichs, Anja; Fluid Phase Equilibria, (2006), 244(1), 68-77, CAplus
Experimental Spectra
1H-NMR
- (1) Papaiconomou, Nicolas; Journal of Chemical & Engineering Data, (2006), 51(4), 1389-1393, CAplus
- (2) Jungbauer, Stefan H.; Chemical Communications (Cambridge, United Kingdom), (2014), 50(47), 6281-6284, CAplus
- (3) Papaiconomou, Nicolas; Journal of Chemical & Engineering Data, (2006), 51(4), 1389-1393, CAplus
- (4) Wang, Huiyong; Journal of Physical Chemistry B, (2008), 112(51), 16682-16689, CAplus
- (5) Kulkarni, Prashant S.; Chemistry - A European Journal, (2007), 13(30), 8478-8488, CAplus
- (6) Cremer, Till; Chemistry - A European Journal, (2010), 16(30), 9018-9033, S9018/1-S9018/7, CAplus
13C-NMR
- (1) Wolfgang Robien / University of Vienna (Spectral Data were obtained from John Wiley & Sons, Inc.)
- (2) Jungbauer, Stefan H.; Chemical Communications (Cambridge, United Kingdom), (2014), 50(47), 6281-6284, CAplus
- (3) Kulkarni, Prashant S.; Chemistry - A European Journal, (2007), 13(30), 8478-8488, CAplus
- (4) Cremer, Till; Chemistry - A European Journal, (2010), 16(30), 9018-9033, S9018/1-S9018/7, CAplus
Additional Spectra
hetero NMR
- (1) Wolfgang Robien / University of Vienna (Spectral Data were obtained from John Wiley & Sons, Inc.)
- (2) Papaiconomou, Nicolas; Journal of Chemical & Engineering Data, (2006), 51(4), 1389-1393, CAplus
- (3) Vieira, N. S. M.; RSC Advances, (2015), 5(80), 65337-65350, CAplus
IR
- (1) Spectral data were obtained from John Wiley & Sons, Inc.
- (2) Burba, Christopher M.; Journal of Physical Chemistry B, (2013), 117(29), 8814-8820, CAplus
Raman
(1) Spectral data were obtained from John Wiley & Sons, Inc.
