N-丁基吡啶氯盐
N-butylpyridinium chloride
- 分子式：C9H14ClN
- 分子量：171.67
- CAS编号：1124-64-7
- 纯度：99%
基本信息
物性数据
| 项目 | 数据 | 测试条件 | 备注 | 数据来源 |
| 熔点 ℃ | 132 | DSC/DTA | ILThermo |
参考谱图
N-丁基吡啶氯盐,BPyCl,1124-64-7,N-butylpyridinium chloride,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 |
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 |
| 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
[Cl-].C=1C=C[N+](=CC1)CCCC
InChI
InChI=1S/C9H14N.ClH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1
InChI Key
POKOASTYJWUQJG-UHFFFAOYSA-M
7 Other Names for this Substance
- 1-Butylpyridinium chloride (7CI)
- Pyridinium, 1-butyl-, chloride (8CI, 9CI)
- BPCl
- Butylpyridinium chloride
- N-(n-Butyl)pyridinium chloride
- N-1-Butylpyridinium chloride
- N-Butylpyridinium chloride
参考文献
Experimental Properties
Chemical
Lipinski
Thermal
- (1) Vu, Peter D.; Green Chemistry, (2007), 9(11), 1158-1159, CAplus
- (2) Ressmann, Anna K.; Monatshefte fuer Chemie, (2017), 148(1), 139-148, CAplus
- (3) Verevkin, Sergey P.; Australian Journal of Chemistry, (2012), 65(11), 1487-1490, CAplus
- (4) Tolstikova, L. L.; Russian Journal of Organic Chemistry, (2006), 42(7), 1068-1074, CAplus
- (5) Zhao, Sanhu; RSC Advances, (2015), 5(41), 32839-32845, CAplus
- (6) Xu, Wu; Journal of Physical Chemistry B, (2003), 107(42), 11749-11756, CAplus
- (7) Sastry, Nandhibatla V.; Journal of Colloid and Interface Science, (2012), 371(1), 52-61, CAplus
Experimental Spectra
1H-NMR
- (1) Spectral data were obtained from John Wiley & Sons, Inc.
- (2) Ressmann, Anna K.; Monatshefte fuer Chemie, (2017), 148(1), 139-148, CAplus
- (3) Srivastava, Vivek; Journal of Chemical Sciences (Bangalore, India), (2013), 125(5), 1207-1212, CAplus
- (4) Vale, Joao R.; European Journal of Organic Chemistry, (2016), 2016(11), 2048-2053, CAplus
- (5) Zhao, Sanhu; RSC Advances, (2015), 5(41), 32839-32845, CAplus
- (6) Khadilkar, Bhushan M.; Organic Process Research & Development, (2002), 6(6), 826-828, CAplus
- (7) Copyright Bio-Rad Laboratories. All Rights Reserved.
- (8) Xu, Wu; Journal of Physical Chemistry B, (2003), 107(42), 11749-11756, CAplus
- (9) Ksenofontov, Vladislav A.; Reaction Kinetics and Catalysis Letters, (2003), 80(2), 329-335, CAplus
- (10) Khadilkar, Bhushan M.; (2004), 1957-1963, CAplus
13C-NMR
- (1) Spectral data were obtained from John Wiley & Sons, Inc.
- (2) Tolstikova, L. L.; Russian Journal of Organic Chemistry, (2006), 42(7), 1068-1074, CAplus
- (3) Ressmann, Anna K.; Monatshefte fuer Chemie, (2017), 148(1), 139-148, CAplus
- (4) Srivastava, Vivek; Journal of Chemical Sciences (Bangalore, India), (2013), 125(5), 1207-1212, CAplus
- (5) Vale, Joao R.; European Journal of Organic Chemistry, (2016), 2016(11), 2048-2053, CAplus
- (6) Zhao, Sanhu; RSC Advances, (2015), 5(41), 32839-32845, CAplus
- (7) Khadilkar, Bhushan M.; Organic Process Research & Development, (2002), 6(6), 826-828, CAplus
- (8) Copyright Bio-Rad Laboratories. All Rights Reserved.
- (9) Xu, Wu; Journal of Physical Chemistry B, (2003), 107(42), 11749-11756, CAplus
- (10) Khadilkar, Bhushan M.; (2004), 1957-1963, CAplus
IR
Mass
(1) "Integrated Spectral Data Base System of Organic Compounds" data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan)
