(Methylsulfonyl)benzene 1-苯甲砜
CAS 3112-85-4 MFCD00014741
化学结构图
SMILES: CS(=O)(=O)c1ccccc1
化学属性
| Mol. Formula | C7H8O2S |
|---|---|
| Mol. Weight | 156.20 |
| Melting Point | 85-87 °C |
| Density | 1.422 |
| TSCA | No |
| Solubility | 不溶 |
| Boiling Point | 250.45 °C at 760 mmHg |
别名和识别编码
| Chemical Name | (Methylsulfonyl)benzene |
|---|---|
| CAS Number | 3112-85-4 |
| Alfabeta Name | METHYLPHENYLSULFONE |
| MDL Number | MFCD00014741 |
| 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 Number | 221-476-8 |
| Beilstein Registry Number | 1906914 |
| PubChem Substance ID | 87572461 |
| Chemical Name Translation | 1-苯甲砜 |
| Reaxys-RN | 1906914 |
| Wiswesser Line Notation | WS1&R |
| LabNetwork Molecule ID | LN00187240 |
| InChI | InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3 |
| Canonical SMILES | O=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
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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)
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