N-丁基吡啶溴盐
N-butyl pyridinium bromide
- 分子式：C9H14BrN
- 分子量：216.12
- CAS编号：874-80-6
- 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 |
| long-term热稳定性 ℃ | 137.6 | 2014客户文章 | ||
| 密度 g/mL | 0.96 | 2014年整理 | ||
| 热分解onset温度 ℃ | 239 | 2014客户文章 | ||
| 热分解peak温度 ℃ | 265 | 2014客户文章 | ||
| 热分解start温度 ℃ | 207 | 2014客户文章 | ||
| 熔点 ℃ | 105 | DSC/DTA | ILThermo |
参考谱图
N-丁基吡啶溴盐,BPyBr,874-80-6,N-butylpyridinium bromide,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 serious notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling according to CLP criteria |
| H318 |
Causes serious eye damage |
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 serious notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling according to CLP criteria, Expert Curated |
| H302 |
Harmful if swallowed |
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
[Br-].C=1C=C[N+](=CC1)CCCC
InChI
InChI=1S/C9H14N.BrH/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
KVBQNFMTEUEOCD-UHFFFAOYSA-M
4 Other Names for this Substance
- 1-Butylpyridinium bromide (6CI, 7CI)
- Pyridinium, 1-butyl-, bromide (8CI, 9CI)
- Butylpyridinium bromide
- N-Butylpyridinium bromide
参考文献
Experimental Properties
Thermal
- (1) Katcka, M.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques, (1964), 12(9), 615-21, CAplus
- (2) Tolstikova, L. L.; Russian Journal of Organic Chemistry, (2006), 42(7), 1068-1074, CAplus
- (3) Hawker, Rebecca R.; Chemical Communications (Cambridge, United Kingdom), (2018), 54(18), 2296-2299, CAplus
- (4) Voltrova, Svatava; European Journal of Organic Chemistry, (2008)(10), 1677-1679, CAplus
- (5) Wu, Yue; ACS Macro Letters, (2019), 8(12), 1588-1593, CAplus
- (6) Reinert, Laurence; Chemical Engineering Journal (Amsterdam, Netherlands), (2012), 209, 13-19, CAplus
Experimental Spectra
1H-NMR
- (1) Siopa, Filipa; Organic Process Research & Development, (2018), 22(4), 551-556, CAplus
- (2) Harjani, Jitendra R.; Green Chemistry, (2009), 11(1), 83-90, CAplus
- (3) Wu, Yue; ACS Macro Letters, (2019), 8(12), 1588-1593, CAplus
- (4) Potangale, Mangesh; Journal of Molecular Liquids, (2017), 240, 694-707, CAplus
- (5) Aidoudi, Farida H.; Dalton Transactions, (2014), 43(2), 568-575, CAplus
- (6) Men, Shuang; Chemical Physics Letters, (2017), 677, 60-64, CAplus
- (7) Zeng, Shaojuan; Energy & Fuels, (2015), 29(9), 6039-6048, CAplus
- (8) Nguyen, V. Thanh; Organic Communications, (2019), 12(2), 101-108, CAplus
- (9) Hawker, Rebecca R.; Chemical Communications (Cambridge, United Kingdom), (2018), 54(18), 2296-2299, CAplus
- (10) "Integrated Spectral Data Base System of Organic Compounds" data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan)
- (11) Tolstikova, L. L.; Russian Journal of Organic Chemistry, (2006), 42(7), 1068-1074, CAplus
- (12) Voltrova, Svatava; European Journal of Organic Chemistry, (2008)(10), 1677-1679, CAplus
- (13) Harjani, Jitendra R.; Green Chemistry, (2009), 11(1), 83-90, CAplus
13C-NMR
- (1) Harjani, Jitendra R.; Green Chemistry, (2009), 11(1), 83-90, CAplus
- (2) Tolstikova, L. L.; Russian Journal of Organic Chemistry, (2006), 42(7), 1068-1074, CAplus
- (3) Nguyen, V. Thanh; Organic Communications, (2019), 12(2), 101-108, CAplus
- (4) "Integrated Spectral Data Base System of Organic Compounds" data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan)
IR
- (1) 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) Duan, Jiyun; Catalysis Today, (2013), 212, 180-185, 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)
- (2) Harjani, Jitendra R.; Green Chemistry, (2009), 11(1), 83-90, CAplus
Raman
(1) Spectral data were obtained from John Wiley & Sons, Inc.
