1,2,3,5-Tetramethylbenzene 1,2,3,5-四甲基苯
CAS 527-53-7 MFCD00008524
化学结构图
SMILES: CC1CC(C)C(C)C(C)C1
化学属性
| Mol. Formula | C10H14 |
|---|---|
| Mol. Weight | 134.22 |
| Density | 0.891 g/mL at 25 °C(lit.) |
| Refractive index | 1.4980 to 1.5140 |
| Boiling Point | 198 °C at 760 mmHg |
| Flash Point | 63°C(lit.) |
| Melting Point | -24 °C |
别名和识别编码
| Chemical Name | 1,2,3,5-Tetramethylbenzene |
|---|---|
| Synonym | 1,2,3,5-Tetramethylbenzene {LY} 1,2,3,5-Tetramethylbenzene {} {LY} 1,2,3,5-Tetramethylbenzene {} {} {LY} 1,2,3,5-Tetramethylbenzene {} {} {} {LY} 1,2,3,5-Tetramethylbenzene {} {} {} {} {LY} 1,2,3,5-Tetramethylbenzene {} {} {} {} {} {LY} 1,2,3,5-Tetramethylbenzene {} {} {} {} {} {} {LY} 1,2,3,5-Tetramethylbenzene {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} 1,2,3,5-Tetramethylbenzene {} {} {} {} {} {} {} {} {LY} 1,2,3,5-Tetramethylbenzene {} {} {} {} {} {} {} {} {} {LY} 1,2,3,5-Tetramethylbenzene {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,5-Tetramethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,5-Tetramethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,5-Tetramethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,5-Tetramethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,5-Tetramethylbenzene {} {} {} {} {} {} |
| MDL Number | MFCD00008524 |
| CAS Number | 527-53-7 |
| Beilstein Registry Number | 5,430 |
| EC Number | 208-417-1 |
| Reaxys-RN | 1904391 |
| PubChem Substance ID | 10695 |
| Merck Number | 5166 |
| Chemical Name Translation | 1,2,3,5-四甲基苯 |
| Wiswesser Line Notation | 1R B1 C1 E1 |
| LabNetwork Molecule ID | LN01746448 |
| InChI | InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3 |
| Canonical SMILES | CC1=CC(=C(C)C(=C1)C)C |
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分类
- {SNA} Arenes, Building Blocks, Chemical Synthesis, Organic Building Blocks
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
相关文献及参考
- 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: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids
安全信息
GHS Symbol
- 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。
- P332+P313
- P370+P378
- P305+P351+P338
- P403+P235
- H319 Causes serious eye irritation 严重刺激眼睛
- H227 Combustible liquid 可燃液体
- 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；
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- 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；
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
- R36 Irritating to eyes 刺激眼睛
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 5157 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Blood - hemorrhage REFERENCE : DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 1,219,1978
其他信息
- 图谱信息:3,4,5-三甲基甲苯(527-53-7)Raman光谱 3,4,5-三甲基甲苯(527-53-7)质谱(MS) 3,4,5-三甲基甲苯(527-53-7)红外图谱(IR1)
- 下游产品:2,4,5,6-四甲基苯二磺酸氯
- MOL 文件:527-53-7.mol
- TCI Shanghai:1,2,3,5-四甲基苯 1,2,3,5-Tetramethylbenzene,>;70.0%(GC)(527-53-7)
- 3,4,5-三甲基甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0565 1,2,3,5-四甲基苯 1,2,3,5-Tetramethylbenzene 5ML 984元 2014/06/02 T0565 1,2,3,5-四甲基苯 1,2,3,5-Tetramethylbenzene 25ML 2400元
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