Benzyl Phenyl Sulfone 苄基苯基砜

CAS 3112-88-7 MFCD00025040

化学结构图

3112-88-7
SMILES: O=S(=O)(Cc1ccccc1)c1ccccc1

化学属性

Mol. FormulaC13H12O2S
Mol. Weight232.30
Melting Point146-150 °C
TSCANo
Boiling Point344.47 °C at 760 mmHg

别名和识别编码

Chemical NameBenzyl Phenyl Sulfone
Synonym (Benzylsulfonyl)benzene {LY} (Benzylsulfonyl)benzene {} {LY} (Benzylsulfonyl)benzene {} {} {LY} (Benzylsulfonyl)benzene {} {} {} {LY} (Benzylsulfonyl)benzene {} {} {} {} {LY} (Benzylsulfonyl)benzene {} {} {} {} {} {LY} (Benzylsulfonyl)benzene {} {} {} {} {} {} {LY} (Benzylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Benzylsulfonyl)benzene {} {} {} {} {} {} {} {} {LY} (Benzylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {LY} (Benzylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {LY} (Benzylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {LY} (Benzylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Benzylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Benzylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Benzylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Benzylsulfonyl)benzene {} {} {} {} {
MDL NumberMFCD00025040
CAS Number3112-88-7
EC Number221-477-3
Beilstein Registry Number6(4)2647
Reaxys-RN2049938
PubChem Substance ID76561
Chemical Name Translation苄基苯基砜
InChIKeyFABCMLOTUSCWOR-UHFFFAOYSA-N
Wiswesser Line NotationWSR&1R
LabNetwork Molecule IDLN01359707
InChIInChI=1S/C13H12O2S/c14-16(15,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
Canonical SMILESO=S(C1=CC=CC=C1)(CC2=CC=CC=C2)=O
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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/35E
  • Active methylene compound: the lithio-derivative reacts with carbonyl compounds to give vinyl sulfones which can be reductively cleaved, e.g. with Al amalgam, to alkenes, in a reaction analogous to the Julia olefination (see Ethyl­ phenyl­ sulfone, A10710): J. Chem. Soc., Chem. Commun., 351 (1973). Reaction with an aldehyde in the presence of n-BuLi, followed by LiHMDS, provides a one-pot double elimination route to acetylenes: Chem. Eur. J., 5, 1355 (1999). For use in a cyclopropane synthesis, see Ethyl­ 4-bromocrotonate, A10371.
  • Short: III/35C1

安全信息

RTECSWR2700000
Hazard Codes Xn
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 320 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#01809

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 苄基苯基砜价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B3080 苄基苯基砜 Benzyl Phenyl Sulfone 5G 396元 2014/06/02 B3080 苄基苯基砜 Benzyl Phenyl Sulfone 25G 1240元 2010/06/21 373380100 苄基苯基砜 Benzyl phenyl sulfone 98% 10 GR 770元
  • 图谱信息:苄基苯基砜(3112-88-7)红外图谱(IR2) 苄基苯基砜(3112-88-7)质谱(MS) 苄基苯基砜(3112-88-7)红外图谱(IR1)
  • Sigma Aldrich:3112-88-7(sigmaaldrich)
  • Acros Organics:Benzyl phenyl sulfone, 98%(3112-88-7)
  • Alfa Aesar:苄基苯基砜,98+% Benzyl phenyl sulfone, 98+%(3112-88-7)
  • TCI Shanghai:苄基苯基砜 Benzyl Phenyl Sulfone,>;98.0%(GC)(3112-88-7)
  • MOL 文件:3112-88-7.mol
  • 苄基苯基砜价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 B3080 苄基苯基砜 Benzyl Phenyl Sulfone 5G 405元 2011/04/16 B3080 苄基苯基砜 Benzyl Phenyl Sulfone 25G 1250元 2010/06/21 373380100 苄基苯基砜 Benzyl phenyl sulfone 98% 10 GR 770元

系列性分类

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