吡啶磺酸丙内酯
Pyridinium propylsulfonate
- 分子式：C8H11NO3S
- 分子量：201.24
- CAS编号：15471-17-7
- 纯度：99%
基本信息
| 产品名称： | 吡啶磺酸丙内酯 | ||
| 英文名称： | Pyridinium propylsulfonate | ||
| CAS编号： | 15471-17-7 | 简 写： | PSO3Py |
| 分 子 式 ： | C8H11NO3S | 分 子 量 ： | 201.24 |
| 纯 度： | 99% | 产品编号： | CP0421 |
物性数据
| 项目 | 数据 | 测试条件 | 备注 | 数据来源 |
| 熔点 ℃ | 272-274 | SciFinder |
参考谱图
安全信息
| Code |
Hazard Statement |
Source |
| H402 |
Harmful to aquatic life |
Expert Curated |
| H335 |
May cause respiratory irritation |
BioVision, EMD Millipore (a part of MilliporeSigma), 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 |
| H333 |
May be harmful if inhaled |
BioVision |
| H319 |
Causes serious eye irritation |
EMD Millipore (a part of MilliporeSigma), 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 |
EMD Millipore (a part of MilliporeSigma), 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 |
| H313 |
May be harmful in contact with skin |
BioVision |
| H303 |
May be harmful if swallowed |
BioVision |
Other Names and Identifiers
Canonical SMILES
O=S(=O)([O-])CCC[N+]=1C=CC=CC1
InChI
InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChI Key
REEBJQTUIJTGAL-UHFFFAOYSA-N
10 Other Names for this Substance
- 1-(3-Sulfopropyl)pyridinium hydroxide, inner salt (6CI, 7CI)
- Pyridinium, 1-(3-sulfopropyl)-, hydroxide, inner salt (8CI)
- 1-(3-Sulfopropyl)pyridinium betaine
- 1-Pyridiniumpropane-3-sulfonate
- 3-(1-Pyridinio)-1-propanesulfonate
- 3-(1-Pyridino)-1-propane sulfonate
- 3-Pyridin-1-ium-1-ylpropane-1-sulfonate
- N-Propylpyridinesulfonic acid betaine
- NDSB 201
- PPS
参考文献
Experimental Properties
Structure Related
Thermal
- (1) Xing, Huabing; Industrial & Engineering Chemistry Research, (2005), 44(11), 4147-4150, CAplus
- (2) Forestiere, A.; Journal of Heterocyclic Chemistry, (1980), 17(7), 1381-3, CAplus
- (3) Foerster, E.; Journal fuer Signalaufzeichnungsmaterialien, (1983), 11(1), 41-5, CAplus
- (4) Zhang, Min; Jiangsu Huagong, (2003), 31(1), 35-37, CAplus
- (5) Fu, Renzhong; Organic & Biomolecular Chemistry, (2016), 14(5), 1784-1793, CAplus
- (6) Fu, Renzhong; Tetrahedron Letters, (2015), 56(30), 4527-4531, CAplus
- (7) Yang, Yang; Tetrahedron, (2020), 76(27), 131312, CAplus
Experimental Spectra
1H-NMR
- (1) Fu, Renzhong; Organic & Biomolecular Chemistry, (2016), 14(5), 1784-1793, CAplus
- (2) Liu, Hai-Feng; Green Chemistry, (2013), 15(1), 81-84, CAplus
- (3) Fu, Renzhong; Tetrahedron Letters, (2015), 56(30), 4527-4531, CAplus
- (4) Copyright Bio-Rad Laboratories. All Rights Reserved.
- (5) Forestiere, A.; Journal of Heterocyclic Chemistry, (1980), 17(7), 1381-3, CAplus
13C-NMR
- (1) Zicmanis, A.; Latvijas PSR Zinatnu Akademijas Vestis, Kimijas Serija, (1979)(5), 605-8, CAplus
- (2) Andersen, Jan R.; Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry, (1979), B33(9), 695-6, CAplus
- (3) Fu, Renzhong; Organic & Biomolecular Chemistry, (2016), 14(5), 1784-1793, CAplus
- (4) Fu, Renzhong; Tetrahedron Letters, (2015), 56(30), 4527-4531, CAplus
- (5) Copyright Bio-Rad Laboratories. All Rights Reserved.
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) Forestiere, A.; Journal of Heterocyclic Chemistry, (1980), 17(7), 1381-3, 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)
Raman
(1) Sigma-Aldrich Co. LLC. (Spectral Data were obtained from John Wiley & Sons, Inc.)
