82651-72-7

Basic information

• Product Name: 2-(BENZENESULFONYLMETHYL)BENZONITRILE
• Synonyms: 2-(BENZENESULFONYLMETHYL)BENZONITRILE;2-CYANOBENZYL PHENYL SULFONE;2-(PHENYLSULFONYLMETHYL)BENZONITRILE;2-(Benzenesulfonylmethyl)benzonitrile 2-Cyanobenzyl Phenyl Sulfone
• CAS NO: 82651-72-7
• Molecular Formula: C₁₄H₁₁NO₂S
• Molecular Weight: 257.31
• Mol File: 82651-72-7.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 480.859°C at 760 mmHg
• Flash Point: 244.615°C
• Appearance: /
• Density: 1.311g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.626
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2-(BENZENESULFONYLMETHYL)BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(BENZENESULFONYLMETHYL)BENZONITRILE(82651-72-7)
• EPA Substance Registry System: 2-(BENZENESULFONYLMETHYL)BENZONITRILE(82651-72-7)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38-36
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 82651-72-7(Hazardous Substances Data)

Usage

General Description

2-(benzenesulfonylmethyl)benzonitrile is a chemical compound with the molecular formula C15H13NO2S. It is a white to light yellow crystalline powder that is commonly used as an intermediate in organic synthesis. The compound is a benzonitrile derivative with a sulfone functional group, making it useful in various types of chemical reactions. It is known for its ability to act as a building block for the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. Additionally, it is used in the manufacture of dyes and pigments. Its unique structure and properties make it a valuable ingredient in the production of a wide range of chemical products.

InChI:InChI=1/C14H11NO2S/c15-10-12-6-4-5-7-13(12)11-18(16,17)14-8-2-1-3-9-14/h1-9H,11H2

Upstream product

• 92164-25-5 2-[(phenylthio)methyl]benzonitrile 
• 873-55-2 sodium benzenesulfonate 
• 22115-41-9 2-(bromomethyl)benzonitrile 
• 529-19-1 2-Methylbenzonitrile 
• 25932-11-0 benzenesulfinic acid sodium dihydrate 
• 2042-37-7 o-cyanobromobenzene 
• 68-12-2 N,N-dimethyl-formamide 
• 618-41-7 Benzenesulfinic acid 

Downstream Products

• 129527-26-0 2-(Benzenesulfonyl-methylsulfanyl-methyl)-benzonitrile 
• 468751-38-4 ortho-(phenylsulfonylmethyl)benzaldehyde 
• 468751-39-5 5,11-bis-benzenesulfonyl-dibenzo[a,e]cyclooctene 
• 1253203-72-3 1,8-dibenzyl-1,8-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole) 
• 1253203-73-4 C₃₀H₂₂N₆ 
• 468751-39-5 5,11-bis(phenylsulfonyl)dibenzo[a,e][8]annulene 
• 53397-65-2 sym-dibenzo-1,5-cyclooctadiene-3,7-diyne 

Relevant articles and documents

Base-controlled divergent synthesis of vinyl sulfones from (benzylsulfonyl)benzenes and paraformaldehyde

A tuneable metal-free protocol for the selective preparation of a-substituted vinyl sulfone and (E)-vinyl sulfone derivatives has been described. In this process, stable paraformaldehyde was used as the carbon source. The base played an important role in the selectivity control of transformations. More than 50 products were synthesized with excellent chemoselectivity and broad functional group tolerance.

MULTICYCLIC AROMATIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME

The present specification describes a multicyclic aromatic ring compound having a novel structure and an organic light emitting device using the same.

Substituted 5,6,11,12-tetradehydrodibenzo[ a, e ]cyclooctenes: Syntheses, properties, and DFT studies of substituted sondheimer-wong diynes

Highly strained cyclic acetylenes 5,6,11,12-tetradehydrodibenzo[a,e]cyclooctenes (Sondheimer-Wong diynes) having various substituents on their benzene rings were synthesized successfully by one-pot treatment of the corresponding formyl sulfones with diethyl chlorophosphate/lithium hexamethyldisilazide (LiHMDS) and then lithium diisopropylamide (LDA). When mixtures of two types of formyl sulfones bearing different substituents were subjected to this protocol, the unsymmetrically substituted Sondheimer-Wong diynes could be synthesized in a stepwise manner by isolation of the heterocoupled vinyl sulfone intermediates followed by their treatment with LDA. The UV-vis absorption spectra and cyclic voltammograms of the substituted Sondheimer-Wong diynes were recorded. The electronic effect of substituents on the diynes was investigated in their click reactions and nucleophilic and electrophilic additions.