4-Oxo-4-phenylbutanenitrile 3-苯甲酰丙腈
CAS 5343-98-6 MFCD00126350
化学结构图
SMILES: N#CCCC(=O)c1ccccc1
化学属性
| Mol. Formula | C10H9NO |
|---|---|
| Mol. Weight | 159.18 |
| Melting Point | 74-78 °C |
| Boiling Point | 114 °C at 0.3 mmHg |
别名和识别编码
| Chemical Name | 3-Benzoylpropionitrile |
|---|---|
| Synonym | 4-Oxo-4-phenylbutanenitrile {LY} 4-Oxo-4-phenylbutanenitrile {} {LY} 4-Oxo-4-phenylbutanenitrile {} {} {LY} 4-Oxo-4-phenylbutanenitrile {} {} {} {LY} 4-Oxo-4-phenylbutanenitrile {} {} {} {} {LY} 4-Oxo-4-phenylbutanenitrile {} {} {} {} {} {LY} 4-Oxo-4-phenylbutanenitrile {} {} {} {} {} {} {LY} 4-Oxo-4-phenylbutanenitrile {} {} {} {} {} {} {} {LY} 4-Oxo-4-phenylbutanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Oxo-4-phenylbutanenitrile {} {} {} {} {} {} {} {} {} {LY} 4-Oxo-4-phenylbutanenitrile {} {} {} {} {} {} {} {} {} {} {LY} 4-Oxo-4-phenylbutanenitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Oxo-4-phenylbutanenitrile {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Oxo-4-phenylbutanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Oxo-4-phenylbutanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Oxo-4-phenylbutanenitrile {} {} {} {} {} {} {} {} {} {} {} |
| MDL Number | MFCD00126350 |
| PubChem Substance ID | 138465 |
| CAS Number | 5343-98-6 |
| Chemical Name Translation | 3-苯甲酰丙腈 |
| InChIKey | OSPRTYTUQJCKFF-UHFFFAOYSA-N |
| Reaxys-RN | 2639066 |
| InChI | InChI=1S/C10H9NO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7H2 |
| Canonical SMILES | C1=CC=C(C=C1)C(=O)CCC#N |
| LabNetwork Molecule ID | LN02062964 |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
- Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
相关文献及参考
- Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 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 CD-ROM's.
- Short: IV/20C Title: Vapor Pressure and Antoine Coefficients for Nitrogen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20C Year: 2001 Keyword: organic compounds; vapor pressure ISBN: 3-540-41060-0 ISBN: 978-3-540-41060-7 Internet Resource: DOI:10.1007/b88812 RefComment: VII, 197 pages
安全信息
GHS Symbol
- H302 Harmful if swallowed 吞食有害
- H302+H312+H332
- R22 Harmful if swallowed 吞咽有害
- 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。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- 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。
- P301+P312
- P301+P312+P330
- P301+P317
- P302+P352+P312+P362+P364
- P304+P340+P312
- P305+P351+P338+P337+P313
- P330 Rinse mouth. 漱口
- P501 Dispose of contents/container to..… 处理内容物/容器.....
