1,3-Diacetylbenzene 1,3-二乙酰基苯
CAS 6781-42-6 MFCD00008740
化学结构图
SMILES: CC(=O)c1cccc(C(C)=O)c1
化学属性
| Mol. Formula | C10H10O2 |
|---|---|
| Mol. Weight | 162.19 |
| Boiling Point | 280.3°C at 760 mmHg |
| Melting Point | 28-32°C |
| Flash Point | 113°C |
| TSCA | No |
| Refractive index | 1.5485-1.5505 |
别名和识别编码
| Chemical Name | 1,3-Diacetylbenzene |
|---|---|
| Beilstein Registry Number | 2042511 |
| PubChem Substance ID | 23229 |
| CAS Number | 6781-42-6 |
| EC Number | 229-842-9 |
| MDL Number | MFCD00008740 |
| Reaxys-RN | 2042511 |
| Synonym | 1,1'-(1,3-Phenylene)diethanone {LY} 1,1'-(1,3-Phenylene)diethanone {} {LY} 1,1'-(1,3-Phenylene)diethanone {} {} {LY} 1,1'-(1,3-Phenylene)diethanone {} {} {} {LY} 1,1'-(1,3-Phenylene)diethanone {} {} {} {} {LY} 1,1'-(1,3-Phenylene)diethanone {} {} {} {} {} {LY} 1,1'-(1,3-Phenylene)diethanone {} {} {} {} {} {} {LY} 1,1'-(1,3-Phenylene)diethanone {} {} {} {} {} {} {} {LY} 1,1'-(1,3-Phenylene)diethanone {} {} {} {} {} {} {} {} {LY} 1,1'-(1,3-Phenylene)diethanone {} {} {} {} {} {} {} {} {} {LY} 1,1'-(1,3-Phenylene)diethanone {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 1,1'-(1,3-Phenylene)diethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,1'-(1,3-Phenylene)diethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,1'-(1,3-Phenylene)diethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,1'-(1,3-Phenylene)diethanone {} {} {} {} {} {} {} {} {} |
| Chemical Name Translation | 1,3-二乙酰基苯 |
| InChIKey | VCHOFVSNWYPAEF-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00117181 |
| InChI | InChI=1S/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3 |
| Canonical SMILES | CC(=O)C1=CC(=CC=C1)C(C)=O |
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分类
- {SNA} Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
- {SA} Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
- {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
- Beil. 7 ,IV,2156
- FT-IR 2 (2), 2382:A / FT-IR 1 (2), 16:D / FT-NMR 1 (2), 817:C / IR-Spectra (3), 858:E / IR-Spectra (2), 751:C / NMR-Reference 2 (2), 17:B / RegBook 1 (2), 1629:K / Structure Index 1 , 255:B:3 / Vapor Phase 3 , 1237:B
- 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 nucle
安全信息
GHS Symbol
其他信息
- TCI Shanghai:1,3-二乙酰基苯 1,3-Diacetylbenzene,>;98.0%(GC)(6781-42-6)
- Sigma Aldrich:6781-42-6(sigmaaldrich)
- Acros Organics:1,3-二乙酰基苯 1,3-Diacetylbenzene, 99%(6781-42-6)
- Alfa Aesar:1，3-二乙酰基苯,97% 1,3-Diacetylbenzene, 97%(6781-42-6)
- MOL 文件:6781-42-6.mol
- 1,3-二乙酰基苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 K3153601 1,3-二乙酰基苯 10g 1687元 2011/04/16 D2617 1,3-二乙酰基苯 1,3-Diacetylbenzene 5G 1030元 2010/06/21 170090010 1,3-二乙酰基苯 1,3-Diacetylbenzene 99% 1 GR 255元
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