N-羧甲基吡啶氯盐
1-Carboxymethyl-pyridinium chloride
- 分子式：C7H8ClNO2
- 分子量：173.6
- CAS编号：6266-23-5
- 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 ℃ | 198 | SciFinder |
参考谱图
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
[Cl-].O=C(O)C[N+]=1C=CC=CC1
InChI
InChI=1S/C7H7NO2.ClH/c9-7(10)6-8-4-2-1-3-5-8;/h1-5H,6H2;1H
InChI Key
FPMXPTIRDWHULR-UHFFFAOYSA-N
5 Other Names for this Substance
- 1-(Carboxymethyl)pyridinium chloride (6CI, 7CI)
- Pyridinium, 1-(carboxymethyl)-, chloride (8CI, 9CI)
- Carboxymethylpyridinium chloride
- N-(Carboxymethyl)pyridinium chloride
- Pyridine betaine monohydrochloride
参考文献
Experimental Properties
Thermal
Experimental Spectra
1H-NMR
- (1) Sigma-Aldrich Co. LLC. (Spectral Data were obtained from John Wiley & Sons, Inc.)
- (2) Lapointe, David; Journal of Organic Chemistry, (2011), 76(3), 749-759, CAplus
- (3) "Integrated Spectral Data Base System of Organic Compounds" data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan)
- (4) Thorsteinsson, Thorsteinn; Journal of Medicinal Chemistry, (2003), 46(19), 4173-4181, CAplus
- (5) Lapointe, David; Journal of Organic Chemistry, (2011), 76(3), 749-759, CAplus
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) Thorsteinsson, Thorsteinn; Journal of Medicinal Chemistry, (2003), 46(19), 4173-4181, CAplus
IR
- (1) Copyright Bio-Rad Laboratories. All Rights Reserved.
- (2) "Integrated Spectral Data Base System of Organic Compounds" data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan)
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.)
