Benzene, 1-methyl-4-(phenylthio)- 4-甲基二苯硫醚
CAS 3699-01-2 MFCD00092378
化学结构图
SMILES: Cc1ccc(Sc2ccccc2)cc1
化学属性
| Mol. Formula | C13H12S |
|---|---|
| Mol. Weight | 200.30 |
| Density | 1.09 |
| Refractive index | 1.6190 to 1.6230 |
| Boiling Point | 312 |
| Flash Point | 16 °C |
| Appearance | 无色至浅黄色液体。 |
| Melting Point | 16 |
别名和识别编码
| Chemical Name | Benzene, 1-methyl-4-(phenylthio)- |
|---|---|
| Synonym | Phenyl(p-tolyl)sulfane {LY} Phenyl(p-tolyl)sulfane {} {LY} Phenyl(p-tolyl)sulfane {} {} {LY} Phenyl(p-tolyl)sulfane {} {} {} {LY} Phenyl(p-tolyl)sulfane {} {} {} {} {LY} Phenyl(p-tolyl)sulfane {} {} {} {} {} {LY} Phenyl(p-tolyl)sulfane {} {} {} {} {} {} {LY} Phenyl(p-tolyl)sulfane {} {} {} {} {} {} {} {LY} Phenyl(p-tolyl)sulfane {} {} {} {} {} {} {} {} {LY} Phenyl(p-tolyl)sulfane {} {} {} {} {} {} {} {} {} {LY} Phenyl(p-tolyl)sulfane {} {} {} {} {} {} {} {} {} {} {LY} Phenyl(p-tolyl)sulfane {} {} {} {} {} {} {} {} {} {} {} {LY} Phenyl(p-tolyl)sulfane {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenyl(p-tolyl)sulfane {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenyl(p-tolyl)sulfane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenyl(p-tolyl)sulfane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenyl(p-tolyl)sulfane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenyl(p-tolyl)sulfane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenyl(p-tol |
| CAS Number | 3699-01-2 |
| EC Number | 250-023-7 |
| Beilstein Registry Number | 6(4)2169 |
| MDL Number | MFCD00092378 |
| Reaxys-RN | 2045716 |
| PubChem Substance ID | 138011 |
| Chemical Name Translation | 4-甲基二苯硫醚 |
| InChIKey | CPZFPNKPHBCUOB-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN01745200 |
| InChI | InChI=1S/C13H12S/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10H,1H3 |
| Canonical SMILES | CC1=CC=C(C=C1)SC2=CC=CC=C2 |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; sulfide; 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
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- P273 Avoid release to the environment. 避免释放到环境中。
- P301+P317
- P330 Rinse mouth. 漱口
- P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H302 Harmful if swallowed 吞食有害
- H315 Causes skin irritation 会刺激皮肤
- H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
- H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
其他信息
- MOL 文件:3699-01-2.mol
- 4-甲基二苯硫醚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P1740 苯基对甲苯硫醚 Phenyl p-Tolyl Sulfide 25G 1780元
- Sigma Aldrich:3699-01-2(sigmaaldrich)
- TCI Shanghai:4-甲基二苯硫醚 Phenyl p-Tolyl Sulfide,>;98.0%(GC)(3699-01-2)
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