四丁基三氟甲烷磺酸铵
Tetrabutyl-ammonium trifluoromethyanesulfonate
- 分子式：C17H36F3NO3S
- 分子量：391.53
- CAS编号：35895-70-6
- 纯度：99%
基本信息
| 产品名称： | 四丁基三氟甲烷磺酸铵 | ||
| 英文名称： | Tetrabutyl-ammonium trifluoromethyanesulfonate | ||
| CAS编号： | 35895-70-6 | 简 写： | N4444OTf |
| 分 子 式 ： | C17H36F3NO3S | 分 子 量 ： | 391.53 |
| 纯 度： | 99% | 产品编号： | CP0347 |
物性数据
参考谱图
四丁基三氟甲烷磺酸铵,N4444OTf,35895-70-6,Tetrabutyl-ammonium trifluoromethyanesulfonate,核磁 NMR, H谱, 氘代DMSO
安全信息
| Code |
Hazard Statement |
Source |
| H401 |
Toxic to aquatic life |
Expert Curated |
| 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 |
| 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 |
| H318 |
Causes serious eye damage |
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 |
| H302 |
Harmful if swallowed |
Expert Curated |
Other Names and Identifiers
Canonical SMILES
O=S(=O)([O-])C(F)(F)F.CCCC[N+](CCCC)(CCCC)CCCC
InChI
InChI=1S/C16H36N.CHF3O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)8(5,6)7/h5-16H2,1-4H3;(H,5,6,7)/q+1;/p-1
InChI Key
YNJQKNVVBBIPBA-UHFFFAOYSA-M
7 Other Names for this Substance
- 1-Butanaminium, N,N,N-tributyl-, salt with trifluoromethanesulfonic acid (1:1) (9CI)
- Methanesulfonic acid, trifluoro-, ion(1-), N,N,N-tributyl-1-butanaminium (ZCI)
- TBA-OTf
- Tetra-n-butylammonium trifluoromethanesulfonate
- Tetrabutylammonium triflate
- Tetrabutylammonium trifluoromethanesulfonate
- Tetrabutylammonium trifluoromethylsulfonate
参考文献
Experimental Spectra
1H-NMR
- (1) Sigma-Aldrich Co. LLC. (Spectral Data were obtained from John Wiley & Sons, Inc.)
- (2) "Integrated Spectral Data Base System of Organic Compounds" data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan)
- (3) Sigma-Aldrich (Spectral data were obtained from Advanced Chemistry Development, Inc.)
13C-NMR
- (1) Sigma-Aldrich Co. LLC. (Spectral Data were obtained from John Wiley & Sons, Inc.)
- (2) Copyright Bio-Rad Laboratories. All Rights Reserved.
- (3) "Integrated Spectral Data Base System of Organic Compounds" data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan)
- (4) Sigma-Aldrich (Spectral data were obtained from Advanced Chemistry Development, Inc.)
hetero NMR
IR
- (1) Sigma-Aldrich Co. LLC. (Spectral Data were obtained from John Wiley & Sons, Inc.)
- (2) Copyright Bio-Rad Laboratories. All Rights Reserved.
- (3) "Integrated Spectral Data Base System of Organic Compounds" data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan)
- (4) Fleshman, Allison M.; Journal of Physical Chemistry B, (2013), 117(17), 5330-5337, CAplus
- (5) Hendrickson, James B.; Synthesis, (1984)(4), 320-2, CAplus
Mass
(1) "Integrated Spectral Data Base System of Organic Compounds" data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan)
