4-Methoxy-1-naphthonitrile 4-甲氧基-1-萘甲腈
CAS 5961-55-7 MFCD00003925
化学结构图
SMILES: COc1ccc(C#N)c2ccccc12
化学属性
| Mol. Formula | C12H9NO |
|---|---|
| Mol. Weight | 183.21 |
| Melting Point | 100-102°C |
| TSCA | No |
| Boiling Point | 364.6oC at 760 mmHg |
别名和识别编码
| Chemical Name | 4-Methoxy-1-naphthonitrile |
|---|---|
| Synonym | 4-Methoxy-1-naphthonitrile {LY} 4-Methoxy-1-naphthonitrile {} {LY} 4-Methoxy-1-naphthonitrile {} {} {LY} 4-Methoxy-1-naphthonitrile {} {} {} {LY} 4-Methoxy-1-naphthonitrile {} {} {} {} {LY} 4-Methoxy-1-naphthonitrile {} {} {} {} {} {LY} 4-Methoxy-1-naphthonitrile {} {} {} {} {} {} {LY} 4-Methoxy-1-naphthonitrile {} {} {} {} {} {} {} {LY} 4-Methoxy-1-naphthonitrile {} {} {} {} {} {} {} {} {LY} 4-Methoxy-1-naphthonitrile {} {} {} {} {} {} {} {} {} {LY} 4-Methoxy-1-naphthonitrile {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxy-1-naphthonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxy-1-naphthonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxy-1-naphthonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxy-1-naphthonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxy-1-naphthonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} |
| MDL Number | MFCD00003925 |
| CAS Number | 5961-55-7 |
| PubChem Substance ID | 80063 |
| EC Number | 227-734-6 |
| Beilstein Registry Number | 2096262 |
| Chemical Name Translation | 4-甲氧基-1-萘甲腈 |
| InChIKey | FRCZUGOIGNQOID-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN02145169 |
| InChI | InChI=1S/C12H9NO/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-7H,1H3 |
| Canonical SMILES | N#CC1=C2C=CC=CC2=C(OC)C=C1 |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; ether; 1fragment
- {SNA} Building Blocks, C10 to C27, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
相关文献及参考
- Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.
- 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 Keywor
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。
- 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+P317
- P302+P352
- P304+P312
- P304+P340
- 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。
- P317
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
- P330 Rinse mouth. 漱口
- P362+P364
- P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H302 Harmful if swallowed 吞食有害
- H302+H312+H332
- H312 Harmful in contact with skin 皮肤接触有害
- H332 Harmful if inhaled 吸入有害
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
其他信息
- Alfa Aesar:4-甲氧基-1-萘甲腈,98% 4-Methoxy-1-naphthonitrile, 98%(5961-55-7)
- Acros Organics:4-Methoxy-1-naphthonitrile, 98%(5961-55-7)
- 4-甲氧基-1-萘甲腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 167460050 4-甲氧基-1-萘甲腈 4-Methoxy-1-naphthonitrile 98% 5 GR 763元 2010/05/25 L05354 4-甲氧基-1-萘甲腈, 98% 4-Methoxy-1-naphthonitrile, 98% 5g 759元 2010/05/25 L05354 4-甲氧基-1-萘甲腈, 98% 4-Methoxy-1-naphthonitrile, 98% 25g 2310元
- MOL 文件:5961-55-7.mol
- Sigma Aldrich:5961-55-7(sigmaaldrich)
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