3-Methylbenzaldehyde 间甲基苯甲醛

CAS 620-23-5 MFCD00003374

化学结构图

620-23-5
SMILES: Cc1cccc(C=O)c1

化学属性

Mol. FormulaC8H8O
Mol. Weight120.15
Boiling Point199 °C at 760 mmHg
TSCAT
Density1.019
Refractive index1.5390 to 1.5410
Flash Point78°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 Name3-Methylbenzaldehyde
CAS Number620-23-5
Alfabeta NameTOLUALDEHYDE 3-
MDL NumberMFCD00003374
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 Number7,296
PubChem Substance ID12105
EC Number210-632-0
Reaxys-RN741964
Chemical Name Translation间甲基苯甲醛
LabNetwork Molecule IDLN00002321
InChIInChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
Canonical SMILESO=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

Warnings AIR SENSITIVE
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Signal word Warning
GHS Symbol
Safety Statements
  • 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；
Risk Statements
  • 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
Precautionary statements
  • 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
RTECSCU7033700
Hazard statements
  • H227 Combustible liquid 可燃液体
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Air Sensitive {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitro
Hazard Codes Xi

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)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  6. C8 - Aldehydes
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic aldehyde<including acetal,hemiacetal>
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes
  6. C7