50712-63-5

Basic information

• Product Name: 2-(4-Nitrophenyl)propiononitrile
• Synonyms: 2-(4-NITROPHENYL)PROPIONITRILE 97;-Methyl-4-nitrobenzeneitrle;2-(4-nitrophenyl)propiononitrile;4-Nitrophenylpropionitrile;2-(4-Nitrophenyl)propanenitrile;2-(4-Nitro-phenyl)acrolein;4-(1-Cyanoethyl)nitrobenzene
• CAS NO: 50712-63-5
• Molecular Formula: C₉H₈N₂O₂
• Molecular Weight: 176.17
• EINECS: 256-731-2
• Product Categories: C8 to C9;Cyanides/Nitriles;Nitrogen Compounds;Building Blocks;C8 to C9;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks
• Mol File: 50712-63-5.mol
• Article Data: 8

Chemical Properties

• Melting Point: 74-78 °C(lit.)
• Boiling Point: 324.1 °C at 760 mmHg
• Flash Point: 149.8 °C
• Appearance: /
• Density: 1.217 g/cm³
• Vapor Pressure: 0.000251mmHg at 25°C
• Refractive Index: 1.561
• CAS DataBase Reference: 2-(4-Nitrophenyl)propiononitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-Nitrophenyl)propiononitrile(50712-63-5)
• EPA Substance Registry System: 2-(4-Nitrophenyl)propiononitrile(50712-63-5)

Safety Data

• Hazard Codes: Xi
• Safety Statements: 22-24/25
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 50712-63-5(Hazardous Substances Data)

Usage

Chemical Properties

Yellow crystalline solid

Uses

Fine chemical entity mostly applied as pharmaceutical intermediate.Intermediates of flurbiprofen: Flurbiprofen is a nonsteroidal antiinflammatory drug (NSAID) used in treatment of mild-to-moderate pain and symptoms of chronic arthritis.

InChI:InChI=1/C9H8N2O2/c1-7(6-10)8-2-4-9(5-3-8)11(12)13/h2-5,7H,1H3

Upstream product

• 50-00-0 formaldehyd 
• 555-21-5 4-Nitrophenylacetonitrile 
• 38622-91-2 [(p-methylphenyl)sulfonylmethyl]isonitrile 
• 100-19-6 (4-nitrophenyl)ethanone 
• 7697-37-2 nitric acid 
• 1823-91-2 1-phenylethyl cyanide 
• 33695-43-1 2-(phenylthio)propanenitrile 
• 98-95-3 nitrobenzene 
• 1617-17-0 2-chlorpropionitrile 

Downstream Products

• 142927-10-4 (S)-2-(4'-nitrophenyl)propionamide 
• 142927-09-1 (R)-(-)-2-(4'-nitrophenyl)propionamide 
• 50712-62-4 C₂₀H₂₂ClNO₃ 
• 50712-60-2 C₁₉H₂₀ClNO₃ 
• 50712-07-7 2-[4-(3-Methoxy-benzylamino)-phenyl]-propionic acid ethyl ester 
• 50880-64-3 2-[4-(4-Methyl-benzylamino)-phenyl]-propionic acid ethyl ester 
• 50712-45-3 2-(4-benzilamminofenil)propionico d'etile 
• 32868-25-0 2-(4-amminofenil)propionico d'etile 
• 50712-64-6 ethyl 2-(4-nitrophenyl)propionate 
• 50712-61-3 C₂₀H₂₂ClNO₄ 
• 59182-62-6 4-(β-amino-isopropyl)-aniline 
• 142927-08-0 (S)-(+)-2-(4'-nitrophenyl)propanoic acid 
• 142927-07-9 (R)-α-methyl-4-nitrophenylacetic acid 
• 28694-90-8 2-(4-aminophenyl)-propionitrile 

Relevant articles and documents

Rapid and Simple Access to α-(Hetero)arylacetonitriles from Gem-Difluoroalkenes

A scalable cyanation of gem-difluoroalkenes to (hetero)arylacetonitrile derivatives was developed. This strategy features mild reaction conditions, excellent yields, wide substrate scope, and broad functional group tolerance. Significantly, in this reacti

Sulphonamide derivatives

Glutamate receptor function in a mammal may be potentiated using an effective amount of a compound of formulaR1—L—NHSO2R2??Iin whichR1 represents an unsubstituted or substituted aromatic or heteroaromatic group;R2 represents (1-6C)alkyl, (3-6C)cycloalkyl, (1-6C)fluoroalkyl, (1-6C)chloroalkyl, (2-6C)alkenyl, (1-4C)alkoxy(1-4C)alkyl, phenyl which is unsubstituted or substituted by halogen, (1-4C)alkyl or (1-4C)alkoxy, or a group, of formula R3R4N in which R3 and R4 each independently represents (1-4C)alkyl or, together with the nitrogen atom to which they are attached form an azetidinyl, pyrrolidinyl, piperidinyl, morpholino, piperazinyl, hexahydroazepinyl or octahydroazocinyl group; andL represents a (2-4C)alkylene chain which is unsubstituted or substituted by one or two substituents selected independently from (1-6C)alkyl, aryl(1-6C)alkyl, (2-6C)alkenyl, aryl(2-6C)alkenyl and aryl, or by two substituents which, together with the carbon atom or carbon atoms to which they are attached form a (3-8C)carbocyclic ring;and pharmaceutically acceptable salts thereof.Also disclosed are compounds of formula I, processes for preparing them and pharmaceutical compositions containing them.

Nucleophilic substitution process

Nitroarylacetonitriles are prepared by reacting a nitroaromatic compound which is devoid of halogen on the aromatic ring carrying a nitro group with an alpha,alpha-disubstituted acetonitrile in an inert solvent and in the presence of a base so that the nitrile undergoes a nucleophilic substitution on an unsubstituted ring carbon of the nitroaromatic compound during which an alpha-substituent functions as a leaving group. Nitrobenzene acetic acids and their nitriles are useful intermediates for the synthesis of pharmaceuticals.