3-Methyl-2,3-Dihydro-1H-Inden-1-One 3-甲基-1-茚酮
CAS 6072-57-7 MFCD00156725
化学结构图
SMILES: CC1CC(=O)c2ccccc21
化学属性
| Mol. Formula | C10H10O |
|---|---|
| Mol. Weight | 146.19 |
| Density | 1.075 g/mL at 25 °C(lit.) |
| Boiling Point | 226.7 °C at 760 mmHg |
| Refractive index | n20/D 1.558(lit.) |
| Flash Point | 110°C |
别名和识别编码
| Chemical Name | 3-Methyl-2,3-Dihydro-1H-Inden-1-One |
|---|---|
| CAS Number | 6072-57-7 |
| Alfabeta Name | METHYLINDANONE 31---- |
| MDL Number | MFCD00156725 |
| PubChem Substance ID | 259560 |
| Synonym | 3-Methyl-2,3-dihydro-1H-inden-1-one {LY} 3-Methyl-2,3-dihydro-1H-inden-1-one {} {LY} 3-Methyl-2,3-dihydro-1H-inden-1-one {} {} {LY} 3-Methyl-2,3-dihydro-1H-inden-1-one {} {} {} {LY} 3-Methyl-2,3-dihydro-1H-inden-1-one {} {} {} {} {LY} 3-Methyl-2,3-dihydro-1H-inden-1-one {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2,3-dihydro-1H-inden-1-one {} {} {} {} {} {} {LY} 3-Methyl-2,3-dihydro-1H-inden-1-one {} {} {} {} {} {} {} {LY} 3-Methyl-2,3-dihydro-1H-inden-1-one {} {} {} {} {} {} {} {} {LY} 3-Methyl-2,3-dihydro-1H-inden-1-one {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2,3-dihydro-1H-inden-1-one {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2,3-dihydro-1H-inden-1-one {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2,3-dihydro-1H-inden-1-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2,3-dihydro-1H-inden-1-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2,3-dihydro-1H-inden-1-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2,3-dihydro-1H-inden-1- |
| Chemical Name Translation | 3-甲基-1-茚酮 |
| InChIKey | XVTQSYKCADSUHN-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00162428 |
| InChI | InChI=1S/C10H10O/c1-7-6-10(11)9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3 |
| Canonical SMILES | CC1CC(=O)C2=CC=CC=C12 |
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分类
- {SNA} Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
- Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
- {uni_hamburg} no charge; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; ketone; racemate; 1fragment
相关文献及参考
- Beil. 7 ,IV,1019
- FT-IR 2 (2), 2373:B / RegBook 1 (2), 1625:H / Structure Index 1 , 254:A:3
- 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 presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
安全信息
- S22 Do not breathe dust 不要吸入粉尘；
- 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；
- 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
- R22 Harmful if swallowed 吞咽有害
其他信息
- MOL 文件:6072-57-7.mol
- Acros Organics:3-methylindan-1-one(6072-57-7)
- Sigma Aldrich:6072-57-7(sigmaaldrich)
