2,3-Dimethylanthraquinone 2,3-二甲基蒽醌
CAS 6531-35-7 MFCD00045379
化学结构图
SMILES: Cc1cc2c(cc1C)C(=O)c1ccccc1C2=O
化学属性
| Mol. Formula | C16H12O2 |
|---|---|
| Mol. Weight | 236.27 |
| Melting Point | 210-212 °C |
| Appearance | 黄色晶体。熔点210℃，升华，溶于乙醇、苯、二甲苯。 |
| Boiling Point | 338.73 °C at 760 mmHg |
别名和识别编码
| Chemical Name | 2,3-Dimethylanthraquinone |
|---|---|
| MDL Number | |
| PubChem Substance ID | 81019 |
| CAS Number | 6531-35-7 |
| Reaxys-RN | 1969987 |
| Beilstein Registry Number | 7(1)425 |
| Synonym | 2,3-Dimethyl-anthraquinone {LY} 2,3-Dimethyl-anthraquinone {} {LY} 2,3-Dimethyl-anthraquinone {} {} {LY} 2,3-Dimethyl-anthraquinone {} {} {} {LY} 2,3-Dimethyl-anthraquinone {} {} {} {} {LY} 2,3-Dimethyl-anthraquinone {} {} {} {} {} {LY} 2,3-Dimethyl-anthraquinone {} {} {} {} {} {} {LY} 2,3-Dimethyl-anthraquinone {} {} {} {} {} {} {} {LY} 2,3-Dimethyl-anthraquinone {} {} {} {} {} {} {} {} {LY} 2,3-Dimethyl-anthraquinone {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethyl-anthraquinone {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethyl-anthraquinone {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethyl-anthraquinone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethyl-anthraquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethyl-anthraquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethyl-anthraquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethyl-a |
| Chemical Name Translation | 2,3-二甲基蒽醌 |
| InChIKey | KIJPZYXCIHZVGP-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H12O2/c1-9-7-13-14(8-10(9)2)16(18)12-6-4-3-5-11(12)15(13)17/h3-8H,1-2H3 |
| Canonical SMILES | O=C1C2=C(C=CC=C2)C(C3=CC(C)=C(C)C=C13)=O |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; 14ring; ketone; 1fragment
- Building Blocks, C15 to C38, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
- {SNA} Building Blocks, C15 to C38, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
相关文献及参考
- Beil. 7 ,I,425
- FT-NMR 1 (2), 913:B / RegBook 1 (2), 1687:L / Structure Index 1 , 268:A:1
- 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.
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+P350
- P302+P352
- P302+P352+P332+P313+P362+P364
- 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；
- 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
- MOL 文件:6531-35-7.mol
- TCI Shanghai:2,3-二甲基蒽醌 2,3-Dimethylanthraquinone,>;95.0%(GC)(6531-35-7)
- 上游原料:蒽醌 --> 氢氧化钾-乙醇 --> 1,4-萘醌
- 检测方法:HPLC
- 用途一:有机合成中间体。
- Sigma Aldrich:6531-35-7(sigmaaldrich)
- 方法一:将1,4-萘醌、二甲基丁二烯和乙醇加热，回流5h。冷却，放置10-12h。将块状物捣碎，过滤，用冷乙醇洗涤，得四氢二甲基蒽醌（熔点147-149℃）。将与氢氧化钾乙醇溶液混合，通空气24h，反应放热。然后抽滤，依次用水、乙醇、乙醚洗涤，干燥，得2,3-二甲基蒽醌。
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