(Methylsulfonyl)benzene 1-苯甲砜

CAS 3112-85-4 MFCD00014741

化学结构图

3112-85-4
SMILES: CS(=O)(=O)c1ccccc1

化学属性

Mol. FormulaC7H8O2S
Mol. Weight156.20
Melting Point85-87 °C
Density1.422
TSCANo
Solubility不溶
Boiling Point250.45 °C at 760 mmHg

别名和识别编码

Chemical Name(Methylsulfonyl)benzene
CAS Number3112-85-4
Alfabeta NameMETHYLPHENYLSULFONE
MDL NumberMFCD00014741
Synonym (Methylsulfonyl)benzene {LY} (Methylsulfonyl)benzene {} {LY} (Methylsulfonyl)benzene {} {} {LY} (Methylsulfonyl)benzene {} {} {} {LY} (Methylsulfonyl)benzene {} {} {} {} { {} {} {} {} {LY} (Methylsulfonyl)benzene {} {} {} {} {} {LY} (Methylsulfonyl)benzene {} {} {} {} {} {} {LY} (Methylsulfonyl)benzene {} {} {} {} {} {} {} {LY} (Methylsulfonyl)benzene {} {} {} {} {} {} {} {} {LY} (Methylsulfonyl)benzene {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} (Methylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {LY} (Methylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {LY} (Methylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Methylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Methylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Methylsulfonyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {}
EC Number221-476-8
Beilstein Registry Number1906914
PubChem Substance ID87572461
Chemical Name Translation1-苯甲砜
Reaxys-RN1906914
Wiswesser Line NotationWS1&R
LabNetwork Molecule IDLN00187240
InChIInChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
Canonical SMILESO=S(C1=CC=CC=C1)(C)=O
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfones, Sulfur Compounds
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; sulfone; 1fragment

相关文献及参考

  • Adds to aldehydes and ketones in the presence of base, e.g. n-BuLi, to give ß-hydroxy sulfones. Conversion of the OH to, e.g. to mesylate, and elimination/desulfurative reduction with sodium amalgam provides a 1-substitued or 1,1-disubstituted alkene by the Julia olefination reaction: Tetrahedron Lett., 4833 (1973); J. Chem. Soc., Perkin 1, 829 (1978). For reaction scheme, see Ethyl­ phenyl­ sulfone, A10710. The adducts with aldehydes can also be rearranged to give the dimethyl acetals of the homologous aldehydes: J. Chem. Soc., Perkin 1, 1646 (1978). Reaction with acyl halides gives ß-keto sulfones: J. Org. Chem., 53, 906 (1988).
  • Short: II/25D
  • Factors governing the selective alkylation have been studied. Lithium bases favor dialkylation. For monoalkylation, a potassium base, e.g. KH in THF, should be used: J. Org. Chem., 55, 2234 (1990).
  • Short: II/27B

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P301+P312+P330
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSWR6800000
Hazard Codes Xn Xn,Xi
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1470 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCBPBS Pesticide Biochemistry and Physiology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1971-  Volume(issue)/page/year:
   1,356,1971

Storage condition 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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Alfa Aesar:苯砜甲酯,98+% Methyl phenyl sulfone, 98+%(3112-85-4)
  • 苯甲砜价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0401 苯甲砜 Methyl Phenyl Sulfone 500G 5420元 2014/06/02 M0401 苯甲砜 Methyl Phenyl Sulfone 25G 652元 2010/06/21 353040250 苯甲砜 Methyl phenyl sulfone 99% 25 GR 2543元
  • 下游产品:3-甲基磺酰苯胺盐酸盐
  • Acros Organics:甲基苯基砜 Methyl phenyl sulfone, 99%(3112-85-4)
  • MOL 文件:3112-85-4.mol
  • 图谱信息:苯甲砜(3112-85-4)红外图谱(IR3) 苯甲砜(3112-85-4)质谱(MS) 苯甲砜(3112-85-4)红外图谱(IR2) 苯甲砜(3112-85-4)核磁图( 13 CNMR) 苯甲砜(3112-85-4)红外图谱(IR1) 苯甲砜(3112-85-4)核磁图( 1 HNMR)
  • Hazard Note:Irritant
  • TCI Shanghai:苯甲砜 Methyl Phenyl Sulfone,>;97.0%(GC)(3112-85-4)
  • Sigma Aldrich:3112-85-4(sigmaaldrich)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Sulfones - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Sulfones - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Thiols/Mercaptans - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Sulfonates/Sulfinates
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Sulfur Compounds for Organic Synthesis 有机合成硫化物