621-50-1

Basic information

• Product Name: 3-NITROPHENYLACETONITRILE
• Synonyms: m-nitrobenzylcyanide;m-Nitro-phenylacetonitrile;3-NITROPHENYLACETONITRILE;3-Nitrophenylaceonitrile;2-(3-nitrophenyl)ethanenitrile;NSC 91037;3-Nitrophenylacetonitrile 99%;(m-nitrophenyl)-acetonitril
• CAS NO: 621-50-1
• Molecular Formula: C₈H₆N₂O₂
• Molecular Weight: 162.15
• EINECS: 210-689-1
• Product Categories: Aromatics Compounds;Aromatics;C8 to C9;Cyanides/Nitriles;Nitrogen Compounds;Building Blocks;C8 to C9;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks
• Mol File: 621-50-1.mol
• Article Data: 22

Chemical Properties

• Melting Point: 60-62 °C(lit.)
• Boiling Point: 180 °C3 mm Hg(lit.)
• Flash Point: 155°C
• Appearance: /
• Density: 1.3264 (rough estimate)
• Vapor Pressure: 0.000144mmHg at 25°C
• Refractive Index: 1.5770 (estimate)
• Storage Temp.: -20°C Freezer
• Solubility: Chloroform, Ethyl Acetate
• CAS DataBase Reference: 3-NITROPHENYLACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-NITROPHENYLACETONITRILE(621-50-1)
• EPA Substance Registry System: 3-NITROPHENYLACETONITRILE(621-50-1)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22
• Safety Statements: 36
• WGK Germany: 3
• RTECS: AM1247000
• HazardClass: IRRITANT-HARMFUL
• Hazardous Substances Data: 621-50-1(Hazardous Substances Data)

Usage

Description

3-Nitrophenylacetonitrile, with the CAS number 621-50-1, is a pale yellow solid that serves as a building block in organic synthesis. It is known for its reactions with various alcohols, such as isopropyl alcohol, cyclohexyl alcohol, and benzyl alcohol, at high temperatures.

Uses

Used in Organic Synthesis:
3-Nitrophenylacetonitrile is used as a building block in the field of organic synthesis for its ability to react with different alcohols at high temperatures. This characteristic makes it a valuable compound in creating a wide range of chemical products and intermediates.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3-Nitrophenylacetonitrile is used as a key intermediate in the synthesis of various drugs and drug candidates. Its reactivity with alcohols allows for the creation of diverse molecular structures, which can be further modified to develop new medications with specific therapeutic properties.
Used in Chemical Research:
3-Nitrophenylacetonitrile is also utilized in chemical research as a model compound to study various reaction mechanisms and to develop new synthetic methods. Its unique properties and reactivity make it an ideal candidate for exploring novel chemical transformations and understanding the underlying principles of organic chemistry.

InChI:InChI=1/C8H6N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4H2

Upstream product

• 64-17-5 ethanol 
• 151-50-8 potassium cyanide 
• 619-23-8 3-Nitrobenzyl chloride 
• 619-25-0 3-Nitrobenzyl alcohol 
• 84750-94-7 1-(2,2-difluorovinyl)-3-nitrobenzene 
• 1877-73-2 3-nitro-benzeneacetic acid 
• 3958-57-4 1-bromomethyl-3-nitrobenzene 
• 773837-37-9 sodium cyanide 
• 121-73-3 3-Nitrochlorobenzene 
• 1071-36-9 sodium cyanoacetate 
• 142509-31-7 1-((methoxymethoxy)methyl)-3-nitrobenzene 
• 10442-39-4 tetra-n-butylammonium cyanide 
• 1058649-37-8 3-nitro-1-[(ethoxymethoxy)methyl]benzene 
• 143-33-9 sodium cyanide 

Downstream Products

• 99726-62-2 (m-nitrophenyl)malonitrile 
• 861590-92-3 bis-(3-nitro-phenyl)-maleic acid-anhydride 
• 4623-24-9 2-(3-aminophenyl)acetonitrile 
• 83304-13-6 2-(3-nitrophenyl)ethylamine 
• 861250-45-5 (Z)-3-Dimethylamino-2-(3-nitro-phenyl)-acrylonitrile 
• 205646-84-0 ethyl (Z)-4,6-dichloro-3-[2-cyano-2-(3-nitrophenyl)-ethenyl]-1H-indole-2-carboxylate 
• 205646-48-6 (E)-2-(3-nitrophenyl)-3-(2-carboethoxy-4,6-dichloroindol-3-yl)-propenonitrile 
• 10268-12-9 methyl 3-nitrophenylacetate 
• 14338-36-4 3-amino phenylacetic acid 
• 408507-75-5 N-(3-cyanomethyl-phenyl)-acetamide 
• 25263-44-9 3-Hydroxyphenylacetonitrile 
• 621-37-4 m-hydroxyphenylacetic acid 
• 38411-41-5 (3-nitrophenyl)acetyl chloride 
• 479644-54-7 C₂₄H₄₁N₇O₆ 

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

JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE

Compounds having activity as inhibitors of ALK2 kinase and/or JAK2 kinase are disclosed. The compounds have the following structure (I): [FORMULA SHOULD BE INSERTED HERE] including stereoisomers, tautomers, pharmaceutically acceptable salts and prodrugs thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, X, z and A are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

Caged CO2 for the Direct Observation of CO2-Consuming Reactions

CO2-consuming reactions, in particular carboxylations, play important roles in technical processes and in nature. Their kinetic behavior and the reaction mechanisms of carboxylating enzymes are difficult to study because CO2 is inconvenient to handle as a gas, exists in equilibrium with bicarbonate in aqueous solution, and typically yields products that show no significant spectroscopic differences from the reactants in the UV/Vis range. Here we demonstrate the utility of 3-nitrophenylacetic acid and related compounds (caged CO2) in conjunction with infrared spectroscopy as widely applicable tools for the investigation of such reactions, permitting convenient measurement of the kinetics of CO2 consumption. The use of isotopically labeled caged CO2 provides a tool for the assignment of infrared absorption bands, thus aiding insight into reaction intermediates and mechanisms.