1-Methyl-4-(Phenylsulfonyl)Benzene 4-甲基二苯砜

CAS 640-57-3 MFCD00025038

化学结构图

640-57-3
SMILES: Cc1ccc(S(=O)(=O)c2ccccc2)cc1

化学属性

Mol. FormulaC13H12O2S
Mol. Weight232.30
Melting Point127-129 °C
TSCAYes
Boiling Point387.9°C at 760 mmHg

别名和识别编码

Chemical Name1-Methyl-4-(Phenylsulfonyl)Benzene
Synonym 1-Methyl-4-(phenylsulfonyl)benzene {LY} 1-Methyl-4-(phenylsulfonyl)benzene {} {LY} 1-Methyl-4-(phenylsulfonyl)benzene {} {} {LY} 1-Methyl-4-(phenylsulfonyl)benzene {} {} {} {LY} 1-Methyl-4-(phenylsulfonyl)benzene {} {} {} {} {LY} 1-Methyl-4-(phenylsulfonyl)benzene {} {} {} {} {} {LY} 1-Methyl-4-(phenylsulfonyl)benzene {} {} {} {} {} {} {LY} 1-Methyl-4-(phenylsulfonyl)benzene {} {} {} {} {} {} {} {LY} 1-Methyl-4-(phenylsulfonyl)benzene {} {} {} {} {} {} {} {} {LY} 1-Methyl-4-(phenylsulfonyl)benzene {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-4-(phenylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-4-(phenylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-4-(phenylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-4-(phenylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-4-(phenylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number640-57-3
MDL NumberMFCD00025038
EC Number211-364-7
Beilstein Registry Number1872872
Chemical Name Translation4-甲基二苯砜
InChIKeyYBRXHRWLEFCFEG-UHFFFAOYSA-N
LabNetwork Molecule IDLN00244074
PubChem Substance ID69497
InChIInChI=1S/C13H12O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-10H,1H3
Canonical SMILESCC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; sulfone; 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/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keywor

安全信息

RTECSWR6880000 
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,42,1953

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C

系列性分类

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