1-Phenylpyrrolidin-2-one 1-苯基吡咯烷-2-酮
CAS 4641-57-0 MFCD00003192
化学结构图
SMILES: O=C1CCCN1c1ccccc1
化学属性
| Mol. Formula | C10H11NO |
|---|---|
| Mol. Weight | 161.20 |
| Boiling Point | 355.5°C at 760 mmHg |
| Melting Point | 67-69 °C |
| TSCA | No |
| Density | 1.422 |
| Flash Point | 123°C/0.2mm |
别名和识别编码
| Chemical Name | 1-Phenylpyrrolidin-2-one |
|---|---|
| CAS Number | 4641-57-0 |
| Alfabeta Name | PHENYLPYRROLIDINONE 12--- |
| MDL Number | MFCD00003192 |
| Synonym | 1-Phenyl-2-pyrrolidinone {LY} 1-Phenyl-2-pyrrolidinone {} {LY} 1-Phenyl-2-pyrrolidinone {} {} {LY} 1-Phenyl-2-pyrrolidinone {} {} {} {LY} 1-Phenyl-2-pyrrolidinone {} {} {} {} {LY} 1-Phenyl-2-pyrrolidinone {} {} {} {} {} {LY} 1-Phenyl-2-pyrrolidinone {} {} {} {} {} {} {LY} 1-Phenyl-2-pyrrolidinone {} {} {} {} {} {} {} {LY} 1-Phenyl-2-pyrrolidinone {} {} {} {} {} {} {} {} {LY} 1-Phenyl-2-pyrrolidinone {} {} {} {} {} {} {} {} {} {LY} 1-Phenyl-2-pyrrolidinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenyl-2-pyrrolidinone {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenyl-2-pyrrolidinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenyl-2-pyrrolidinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenyl-2-pyrrolidinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenyl-2-pyrrolidinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} |
| PubChem Substance ID | 78375 |
| EC Number | 225-069-6 |
| Beilstein Registry Number | 130685 |
| Reaxys-RN | 130685 |
| Chemical Name Translation | 1-苯基吡咯烷-2-酮 |
| InChIKey | JMVIVASFFKKFQK-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00119488 |
| Canonical SMILES | C1=CC=C(C=C1)N2CCCC2=O |
| InChI | InChI=1S/C10H11NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
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分类
- {SNA} Building Blocks, C9 to C10, Chemical Synthesis, Heterocyclic Building Blocks, Pyrrolidines
- Aromatics
- Heterocycles
- {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; alicycle; 5ring; 6ring; amide; lactame; 1fragment
- Miscellaneous Reagents
相关文献及参考
- Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.
- Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are
安全信息
GHS Symbol
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P264+P265
- P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P302+P352
- P304+P340
- P305+P351+P338
- P305+P351+P338+P337+P313
- P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
- P319
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P332+P313
- P332+P317
- P337+P313
- P337+P317
- P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
- P362+P364
- P403+P233
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
- S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
其他信息
- Alfa Aesar:1-苯基-2-吡咯烷酮99% 1-Phenyl-2-pyrrolidinone, 99%(4641-57-0)
- TCI Shanghai:1-苯基-2-吡咯烷酮 1-Phenyl-2-pyrrolidone,>;99.0%(GC)(4641-57-0)
- MOL 文件:4641-57-0.mol
- 1-苯基-2-吡咯烷酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0319 1-苯基-2-吡咯烷酮 1-Phenyl-2-pyrrolidone 25G 1040元 2010/05/25 L14660 1-苯基-2-吡咯烷酮 99% 1-Phenyl-2-pyrrolidinone, 99% 5g 322元 2010/05/25 L14660 1-苯基-2-吡咯烷酮 99% 1-Phenyl-2-pyrrolidinone, 99% 25g 1200元
- Sigma Aldrich:4641-57-0(sigmaaldrich)
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