4-Bromocumene 1-溴-4-异丙基苯
CAS 586-61-8 MFCD00039159
化学结构图
SMILES: CC(C)c1ccc(Br)cc1
化学属性
| Mol. Formula | C9H11Br |
|---|---|
| Mol. Weight | 199.09 |
| Boiling Point | 219.3°C at 760 mmHg |
| Density | 1.286 |
| Refractive index | 1.5340 to 1.5380 |
| Flash Point | 94°C |
| Solubility | Insoluble in water |
| TSCA | Yes |
| Melting Point | -22°C |
别名和识别编码
| Chemical Name | 4-Bromocumene |
|---|---|
| CAS Number | 586-61-8 |
| Alfabeta Name | BROMOISOPROPYLBENZENE 4- |
| MDL Number | MFCD00039159 |
| Synonym | 1-Bromo-4-isopropylbenzene {LY} 1-Bromo-4-isopropylbenzene {} {LY} 1-Bromo-4-isopropylbenzene {} {} {LY} 1-Bromo-4-isopropylbenzene {} {} {} {LY} 1-Bromo-4-isopropylbenzene {} {} {} {} {LY} 1-Bromo-4-isopropylbenzene {} {} {} {} {} {LY} 1-Bromo-4-isopropylbenzene {} {} {} {} {} {} {LY} 1-Bromo-4-isopropylbenzene {} {} {} {} {} {} {} {LY} 1-Bromo-4-isopropylbenzene {} {} {} {} {} {} {} {} {LY} 1-Bromo-4-isopropylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-4-isopropylbenzene {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-4-isopropylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-4-isopropylbenzene {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-4-isopropylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-4-isopropylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} |
| EC Number | 209-577-5 |
| Beilstein Registry Number | 1858096 |
| PubChem Substance ID | 87564921 |
| Chemical Name Translation | 1-溴-4-异丙基苯 |
| Reaxys-RN | 1858096 |
| InChIKey | MOZHUOIQYVYEPN-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00115399 |
| InChI | InChI=1S/C9H11Br/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3 |
| Canonical SMILES | CC(C1=CC=C(Br)C=C1)C |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
- {SNA} Aryl, Building Blocks, C9 to C12, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks
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
- S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
- H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
- H302 Harmful if swallowed 吞食有害
其他信息
- Sigma Aldrich:586-61-8(sigmaaldrich)
- MOL 文件:586-61-8.mol
- 下游产品:4-异丙基苯基硼酸
- TCI Shanghai:4-溴枯烯 4-Bromocumene,>;97.0%(GC)(586-61-8)
- Alfa Aesar:4-溴异丙苯,97% 1-Bromo-4-isopropylbenzene, 97%(586-61-8)
- 1-溴-4-异丙基苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 LA1337001 4-溴异丙苯 5g 519元 2011/04/16 B2045 4-溴代枯烯 4-Bromocumene 5G 748元 2011/04/16 B2045 4-溴代枯烯 4-Bromocumene 25G 2450元
- 溶解性：不溶于水
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