1-Bromo-4-Methylnaphthalene 4-溴-1-甲基萘
CAS 6627-78-7 MFCD00003872
化学结构图
SMILES: Cc1ccc(Br)c2ccccc12
化学属性
| Mol. Formula | C11H9Br |
|---|---|
| Mol. Weight | 221.09 |
| Density | 1.419 g/mL at 25 °C(lit.) |
| Boiling Point | 303.7°C at 760 mmHg |
| Refractive index | n20/D 1.651(lit.) |
| Flash Point | >113°(235°F) |
| TSCA | No |
| Melting Point | 5.5-6.0°C |
别名和识别编码
| Chemical Name | 1-Bromo-4-Methylnaphthalene |
|---|---|
| Synonym | 1-Bromo-4-methylnaphthalene {LY} 1-Bromo-4-methylnaphthalene {} {LY} 1-Bromo-4-methylnaphthalene {} {} {LY} 1-Bromo-4-methylnaphthalene {} {} {} {LY} 1-Bromo-4-methylnaphthalene {} {} {} {} {LY} 1-Bromo-4-methylnaphthalene {} {} {} {} {} {LY} 1-Bromo-4-methylnaphthalene {} {} {} {} {} {} {LY} 1-Bromo-4-methylnaphthalene {} {} {} {} {} {} {} {LY} 1-Bromo-4-methylnaphthalene {} {} {} {} {} {} {} {} {LY} 1-Bromo-4-methylnaphthalene {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-4-methylnaphthalene {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-4-methylnaphthalene {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-4-methylnaphthalene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-4-methylnaphthalene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-4-methylnaphthalene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-4-methylnaphthalene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-4-methylnaphthalene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo |
| MDL Number | MFCD00003872 |
| CAS Number | 6627-78-7 |
| PubChem Substance ID | 81112 |
| EC Number | 229-599-9 |
| Chemical Name Translation | 4-溴-1-甲基萘 |
| InChIKey | IDRVLLRKAAHOBP-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00190167 |
| InChI | InChI=1S/C11H9Br/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7H,1H3 |
| Canonical SMILES | CC1=C2C=CC=CC2=C(Br)C=C1 |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; 1fragment
- {SNA} Aryl, Building Blocks, C9 to C12, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks
相关文献及参考
- Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.e
- 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.
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