4-Chlorophenyl acetate 乙酸-4-氯苯酯
CAS 876-27-7 MFCD00623648
化学结构图
SMILES: CC(=O)Oc1ccc(Cl)cc1
化学属性
| Mol. Formula | C8H7ClO2 |
|---|---|
| Mol. Weight | 170.59 |
别名和识别编码
| Chemical Name | 4-Chlorophenyl acetate |
|---|---|
| Synonym | 4-Chlorophenyl acetate {LY} 4-Chlorophenyl acetate {} {LY} 4-Chlorophenyl acetate {} {} {LY} 4-Chlorophenyl acetate {} {} {} {LY} 4-Chlorophenyl acetate {} {} {} {} {LY} 4-Chlorophenyl acetate {} {} {} {} {} {LY} 4-Chlorophenyl acetate {} {} {} {} {} {} {LY} 4-Chlorophenyl acetate {} {} {} {} {} {} {} {LY} 4-Chlorophenyl acetate {} {} {} {} {} {} {} {} {LY} 4-Chlorophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenyl acetate {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} { |
| InChIKey | KEUPLGRNURQXAR-UHFFFAOYSA-N |
| Wiswesser Line Notation | GR DOV1 |
| CAS Number | 876-27-7 |
| Beilstein Registry Number | 1909058 |
| LabNetwork Molecule ID | LN02000861 |
| Chemical Name Translation | 乙酸-4-氯苯酯 |
| PubChem Substance ID | 13410 |
| InChI | InChI=1S/C8H7ClO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3 |
| Canonical SMILES | CC(=O)OC1=CC=C(C=C1)Cl |
| MDL Number | MFCD00623648 |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
相关文献及参考
- Short: III/20b Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei Cl ... Rb Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20b Year: 1988 Keyword: NQR ISBN: 3-540-18483-X ISBN: 978-3-540-18483-6 Internet Resource: DOI:10.1007/b86664 RefComment: IX,717 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
- 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
安全信息
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 125 mg/kg TOXIC EFFECTS : Behavioral - tremor REFERENCE : CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 7,787,1955
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