2-Hydroxy-5-methylisophthalaldehyde 2,6-二甲酰-4-甲基苯酚
CAS 7310-95-4 MFCD00016596
化学结构图
SMILES: Cc1cc(C=O)c(O)c(C=O)c1
化学属性
| Mol. Formula | C9H8O3 |
|---|---|
| Mol. Weight | 164.16 |
| Melting Point | 128-130 °C |
| Boiling Point | 251.61 °C at 760 mmHg |
别名和识别编码
| Chemical Name | 2-Hydroxy-5-methylisophthalaldehyde |
|---|---|
| CAS Number | 7310-95-4 |
| Alfabeta Name | HYDROXYMETHYLISOPHTHALALDEHYDE 25--- |
| MDL Number | MFCD00016596 |
| PubChem Substance ID | 81744 |
| EC Number | 230-768-4 |
| Reaxys-RN | 2043960 |
| Synonym | 2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde {LY} 2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde {} {LY} 2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde {} {} {LY} 2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde {} {} {} {LY} 2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde {} {} {} {} {LY} 2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde {} {} {} {} {} {LY} 2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde {} {} {} {} {} {} {LY} 2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde {} {} {} {} {} {} {} {LY} 2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-5-methyl-1,3-benzenedicarboxaldeh |
| Chemical Name Translation | 2,6-二甲酰-4-甲基苯酚 |
| InChIKey | ZBOUXALQDLLARY-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00115616 |
| InChI | InChI=1S/C9H8O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-5,12H,1H3 |
| Canonical SMILES | O=CC1=CC(C)=CC(C=O)=C1O |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; aldehyde; alcohol; 1fragment
- {SNA} Aldehydes, Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
- Aldehydes, Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
相关文献及参考
- Beil. 8 ,290
- FT-IR 2 (2), 2559:A / Structure Index 1 , 276:A:5
- 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: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European
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。
- 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。
- P305+P351+P338
- P305+P351+P338+P337+P313
- 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
- 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
- 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；
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- 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
- Sigma Aldrich:7310-95-4(sigmaaldrich)
- 上游原料:乙酸 --> 多聚甲醛 --> 乌洛托品 --> 4-甲基苯酚
- 图谱信息:2,6-二甲酰-4-甲基苯酚(7310-95-4)质谱(MS) 2,6-二甲酰-4-甲基苯酚(7310-95-4)核磁图( 13 CNMR) 2,6-二甲酰-4-甲基苯酚(7310-95-4)红外图谱(IR1) 2,6-二甲酰-4-甲基苯酚(7310-95-4)核磁图( 1 HNMR)
- MOL 文件:7310-95-4.mol
- 2,6-二甲酰-4-甲基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0683 2-羟基-5-甲基间苯二甲醛 2-Hydroxy-5-methylisophthalaldehyde 5G 3830元 2014/06/02 H0683 2-羟基-5-甲基间苯二甲醛 2-Hydroxy-5-methylisophthalaldehyde 1G 1300元 2010/06/21 259092500 2,6-二甲酰-4-甲基苯酚 2,6-Diformyl-4-methylphenol 99% 250 MG 1095元
- TCI Shanghai:2-羟基-5-甲基间苯二甲醛 2-Hydroxy-5-methylisophthalaldehyde,>;98.0%(GC)(7310-95-4)
- Acros Organics:2,6-二甲酰基-4-甲基苯酚 2,6-Diformyl-4-methylphenol, 99%(7310-95-4)
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