4-(Phenylsulfonyl)benzonitrile

Basic Information

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CAS Number

28525-13-5

Molecular Formula

C13H9NO2S

Molecular Weight

232.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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c1ccc(cc1)S(=O)(=O)c2ccc(cc2)C#N

InChI

InChI=1S/C13H9NO2S/c14-10-11-6-8-13(9-7-11)17(15,16)12-4-2-1-3-5-12/h1-9H

InChIKey

LJGXGJNDLQYPQK-UHFFFAOYSA-N

LogP

2.827820000000001

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

387

Synonyms & References

English

4-(Phenylsulfonyl)benzonitrile
Benzonitrile, 4-(phenylsulfonyl)-
4-benzenesulfonyl-azetidin-2-one
4-benzenesulfonylbenzonitrile
4-Benzolsulfonyl-benzaldehyd
4-Benzolsulfonyl-benzonitril
4-Benzosulfonyl-benzaldehyd
4-Phenylsulfon-benzoesaeure-nitril
4-Phenylsulfon-benzonitril
4-phenylsulfonyl-azetidinone
LJGXGJNDLQYPQK-UHFFFAOYSA-N
4-(BENZENESULFONYL)BENZONITRILE
TRA0042508
SY020921
AK118916
AB0061260
AX8244332
J3.522.374F

MDL Number

MFCD00159171

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 4-(Phenylsulfonyl)benzonitrile (CAS: 28525-13-5)?

4-(Phenylsulfonyl)benzonitrile (CAS: 28525-13-5) must comply with global chemical regulations, including the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH in the European Union, and FDA/EPA requirements for safe handling and disposal. It is classified as a potentially hazardous chemical, requiring proper labeling and storage under severe conditions to prevent environmental contamination.

Are there alternatives to 4-(Phenylsulfonyl)benzonitrile (CAS: 28525-13-5) in synthesis?

Several alternatives to 4-(Phenylsulfonyl)benzonitrile (CAS: 28525-13-5) can be used in synthesis, including phenylsulfonic acid, benzonitrile, and other sulfonated derivatives. These alternatives provide similar reactivity and can be chosen based on availability, cost, and specific reaction conditions. Ensuring safety and regulatory compliance is crucial when selecting alternatives.

What is the market or research trend for 4-(Phenylsulfonyl)benzonitrile (CAS: 28525-13-5)?

The market for 4-(Phenylsulfonyl)benzonitrile (CAS: 28525-13-5) is driven by its applications in pharmaceuticals and organic chemistry. Research trends focus on its use in medicinal chemistry and as a precursor in various chemical syntheses. The demand is expected to grow as more applications are discovered, but price fluctuations may impact market dynamics. Environmental and safety concerns also influence the research landscape.

How should waste containing 4-(Phenylsulfonyl)benzonitrile (CAS: 28525-13-5) be handled?

Waste containing 4-(Phenylsulfonyl)benzonitrile (CAS: 28525-13-5) should be collected in sealed, leak-proof containers and stored in a secure, well-ventilated area. Incineration or professional waste disposal services should be utilized to ensure proper destruction of the chemical. Environmental protection measures include monitoring soil and water contamination and following local and international disposal regulations to minimize environmental impact.