Isopropylsulfonylbenzene 异丙基磺酰基苯

CAS 4238-09-9 MFCD00025039

化学结构图

4238-09-9
SMILES: CC(C)S(=O)(=O)c1ccccc1

化学属性

Mol. FormulaC9H12O2S
Mol. Weight184.26

别名和识别编码

Synonym (Isopropylsulfonyl)benzene {LY} (Isopropylsulfonyl)benzene {} {LY} (Isopropylsulfonyl)benzene {} {} {LY} (Isopropylsulfonyl)benzene {} {} {} {LY} (Isopropylsulfonyl)benzene {} {} {} {} {LY} (Isopropylsulfonyl)benzene {} {} {} {} {} {LY} (Isopropylsulfonyl)benzene {} {} {} {} {} {} {LY} (Isopropylsulfonyl)benzene {} {} {} {} {} {} {} {LY} (Isopropylsulfonyl)benzene {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} (Isopropylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {LY} (Isopropylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {LY} (Isopropylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {LY} (Isopropylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Isopropylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Isopropylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Isopropylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {}
Wiswesser Line NotationWSR&Y1&1
Chemical NameIsopropylsulfonylbenzene
CAS Number4238-09-9
Beilstein Registry Number2045840
InChIKeyIJTSQCOXRMHSCS-UHFFFAOYSA-N
LabNetwork Molecule IDLN01939208
PubChem Substance ID199476
InChIInChI=1S/C9H12O2S/c1-8(2)12(10,11)9-6-4-3-5-7-9/h3-8H,1-2H3
MDL Number
Chemical Name Translation异丙基磺酰基苯
Canonical SMILESCC(C)S(=O)(=O)C1=CC=CC=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; sulfone; 1fragment

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.

安全信息

RTECSWR6670000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 11,1023,1968

Storage condition

系列性分类

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