3-Methylbenzaldehyde 间甲基苯甲醛
CAS 620-23-5 MFCD00003374
化学结构图
SMILES: Cc1cccc(C=O)c1
化学属性
| Mol. Formula | C8H8O |
|---|---|
| Mol. Weight | 120.15 |
| Boiling Point | 199 °C at 760 mmHg |
| TSCA | T |
| Density | 1.019 |
| Refractive index | 1.5390 to 1.5410 |
| Flash Point | 78°C(lit.) |
| Solubility | 略溶于水 |
| Appearance | 无色液体。 |
| pH | :A |
| Melting Point | <25 °C |
别名和识别编码
| Chemical Name | 3-Methylbenzaldehyde |
|---|---|
| CAS Number | 620-23-5 |
| Alfabeta Name | TOLUALDEHYDE 3- |
| MDL Number | MFCD00003374 |
| Synonym | m-Tolualdehyde {LY} m-Tolualdehyde {} {LY} m-Tolualdehyde {} {} {LY} m-Tolualdehyde {} {} {} {LY} m-Tolualdehyde {} {} {} {} {LY} m-Tolualdehyde {} {} {} {} {} {LY} m-Tolualdehyde {} {} {} {} {} {} {LY} m-Tolualdehyde {} {} {} {} {} {} {} {LY} m-Tolualdehyde {} {} {} {} {} {} {} {} {LY} m-Tolualdehyde {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} m-Tolualdehyde {} {} {} {} {} {} {} {} {} {} {LY} m-Tolualdehyde {} {} {} {} {} {} {} {} {} {} {} {LY} m-Tolualdehyde {} {} {} {} {} {} {} {} {} {} {} {} {LY} m-Tolualdehyde {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} m-Tolualdehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} m-Tolualdehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} m-Tolualdehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} m-Tolualdehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} |
| Beilstein Registry Number | 7,296 |
| PubChem Substance ID | 12105 |
| EC Number | 210-632-0 |
| Reaxys-RN | 741964 |
| Chemical Name Translation | 间甲基苯甲醛 |
| LabNetwork Molecule ID | LN00002321 |
| InChI | InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3 |
| Canonical SMILES | O=CC1=CC=CC(C)=C1 |
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分类
- Aldehydes, Building Blocks, C8, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
- {SNA} Aldehydes, Building Blocks, C8, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; aldehyde; 1fragment
相关文献及参考
- Beil. 7 ,IV,669
- Aldrich MSDS 1 , 1713:C / Corp MSDS 1 (2), 3363:B / FT-IR 2 (2), 2525:A / FT-IR 1 (2), 107:A / FT-NMR 1 (2), 935:B / IR-Spectra (3), 913:A / IR-Spectra (2), 799:A / NMR-Reference 2 (2), 106:A / RegBook 1 (2), 1715:D / Structure Index 1 , 272:B:2 / Vapor Phase 3 , 1286:C
- 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 contai
安全信息
GHS Symbol
- 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；
- S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- 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；
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- 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
- R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
- 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。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
- P370+P378
- P403+P235
- H227 Combustible liquid 可燃液体
其他信息
- 3-甲基苯甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010285 间甲基苯甲醛 100g 500元 2011/04/16 T0258 间甲基苯甲醛(含稳定剂HQ) m-Tolualdehyde (stabilized with HQ) 25ML 662元 2010/06/21 138991000 3-甲基苯甲醛 m-Tolualdehyde 98%, stabilized 100 GR 2014元
- Acros Organics:3-甲基苯甲醛 m-Tolualdehyde, stabilized, 98%(620-23-5)
- 敏感性:Air Sensitive
- TSCA:T
- MSDS 信息:m-Tolualdehyde(620-23-5).msds
- 图谱信息:3-甲基苯甲醛(620-23-5)红外图谱(IR1) 3-甲基苯甲醛(620-23-5)核磁图( 13 CNMR) 3-甲基苯甲醛(620-23-5)核磁图( 1 HNMR) 3-甲基苯甲醛(620-23-5)质谱(MS)
- TCI Shanghai:3-甲基苯甲醛(含稳定剂氢醌) m-Tolualdehyde (stabilized with HQ),>;95.0%(GC)(620-23-5)
- F:10-23
- 用途一:用作有机合成中间体
- 下游产品:3-(3-甲基苯基)丙酸
- 海关编码:29122900
- color:colorless to brownish-yellow
- MOL 文件:620-23-5.mol
- Alfa Aesar:间甲苯甲醛,97%,stab.with0.1%hydroquinone m-Tolualdehyde, 97%, stab. with 0.1% hydroquinone(620-23-5)
- FEMA:3068
- Sigma Aldrich:620-23-5(sigmaaldrich)
