72301-69-0

Basic information

• Product Name: Benzeneacetonitrile, 2-nitro-5-(phenylthio)-
• Synonyms: (2-Nitro-5-(phenylthio)phenyl)acetonitrile;Benzeneacetonitrile,2-nitro-5-(phenylthio);(5-phenylthio-2-nitrophenyl)acetonitrile
• CAS NO: 72301-69-0
• Molecular Formula: C14H10N2O2S
• Molecular Weight: 270.312
• Mol File: 72301-69-0.mol
• Article Data: 3

Chemical Properties

• Melting Point: 104-105 °C
• Boiling Point: 485.2±40.0 °C(Predicted)
• Density: 1.33±0.1 g/cm3(Predicted)
• CAS DataBase Reference: Benzeneacetonitrile, 2-nitro-5-(phenylthio)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzeneacetonitrile, 2-nitro-5-(phenylthio)-(72301-69-0)
• EPA Substance Registry System: Benzeneacetonitrile, 2-nitro-5-(phenylthio)-(72301-69-0)

Safety Data

• Hazardous Substances Data: 72301-69-0(Hazardous Substances Data)

Upstream product

• 952-97-6 4-nitrophenyl phenyl sulfide 
• 3598-13-8 (4-chlorophenoxy)acetonitrile 
• 5219-61-4 (phenylthio)acetonitrile 
• 350-46-9 4-Fluoronitrobenzene 

Downstream Products

• 1259405-88-3 (1-methylpyrrolidin-2-ylidene)[2-nitro-5-(phenylthio)phenyl]acetonitrile 
• 152562-24-8 (Z)-2-(5-Benzenesulfonyl-2-nitro-phenyl)-pent-2-enenitrile 
• 152562-06-6 (Z)-2-(5-Benzenesulfonyl-2-nitro-phenyl)-but-2-enenitrile 
• 152562-22-6 (Z)-2-(2-Nitro-5-phenylsulfanyl-phenyl)-but-2-enenitrile 

Relevant articles and documents

Short and simple method of synthesis of some pyrrolo[3,2-b]quinoline derivatives from easily available nitrobenzene derivatives

The Vilsmeier-Hack condensation of ortho-cyanomethylated nitroarenes with N-methylpyrrolidone, followed by cyclization promoted by O,N- bistrimethylsilylacetamide and DBU in DMF led directly to pyrrolo[3,2-b] quinoline derivatives. Georg Thieme Verlag Stuttgart · New York.

Vicarious Substitution of Hydrogen in Aromatic Nitro Compounds with Acetonitrile Derivatives

Carbanions of α-phenoxy and thioalkoxy nitriles substitute hydrogen in the para or ortho position of aromatic nitro compounds, giving nitroarylacetonitriles in a process in which phenolate or thiolate anions are vicarious leaving groups.