4-Methylsulfonylaniline 4-甲磺酰基苯胺

CAS 5470-49-5 MFCD00025353

化学结构图

5470-49-5
SMILES: CS(=O)(=O)c1ccc(N)cc1

化学属性

Mol. FormulaC7H9NO2S
Mol. Weight171.22
Melting Point243-245°C
Boiling Point384.3°C at 760 mmHg

别名和识别编码

Chemical Name4-Methylsulfonylaniline
CAS Number5470-49-5
Alfabeta NameMETHYLSULFONYLANILINE 4-
MDL NumberMFCD00025353
Synonym 4-(Methylsulfonyl)aniline {LY} 4-(Methylsulfonyl)aniline {} {LY} 4-(Methylsulfonyl)aniline {} {} {LY} 4-(Methylsulfonyl)aniline {} {} {} {LY} 4-(Methylsulfonyl)aniline {} {} {} {} {LY} 4-(Methylsulfonyl)aniline {} {} {} {} {} {LY} 4-(Methylsulfonyl)aniline {} {} {} {} {} {} { {} {} {} {} {} {} {LY} 4-(Methylsulfonyl)aniline {} {} {} {} {} {} {} {LY} 4-(Methylsulfonyl)aniline {} {} {} {} {} {} {} {} {LY} 4-(Methylsulfonyl)aniline {} {} {} {} {} {} {} {} {} {LY} 4-(Methylsulfonyl)aniline {} {} {} {} {} {} {} {} {} {} {LY} 4-(Methylsulfonyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Methylsulfonyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Methylsulfonyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Methylsulfonyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Methylsulfonyl)aniline {} {} {} {} {} {} {} {} {} {}
EC Number226-803-8
Chemical Name Translation4-甲磺酰基苯胺
InChIKeyXJEVFFNOMKXBLU-UHFFFAOYSA-N
PubChem Substance ID79617
LabNetwork Molecule IDLN00129585
InChIInChI=1S/C7H9NO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
Canonical SMILESNC1=CC=C(S(=O)(C)=O)C=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; sulfone; 1fragment
  • {SNA} Amines, Building Blocks, C7, Chemical Synthesis, Nitrogen Compounds, 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.

安全信息

Hazard Codes Xi Xn
WGK Germany3
GHS Symbol
Signal word Warning
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MOL 文件:5470-49-5.mol
  • Hazard Note:Irritant
  • MSDS 信息:4-Mesylaniline(5470-49-5).msds

系列性分类

  1. C8 - Amines

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