123846-65-1

Basic information

• Product Name: (3-Nitro-pyridin-2-yl)-acetonitrile
• Synonyms: (3-Nitro-pyridin-2-yl)-acetonitrile;2-Pyridineacetonitrile, 3-nitro-
• CAS NO: 123846-65-1
• Molecular Formula: C₇H₅N₃O₂
• Molecular Weight: 163.1335
• EINECS: -0
• Mol File: 123846-65-1.mol
• Article Data: 3

Chemical Properties

• Melting Point: 106-108 °C
• Boiling Point: 309.0±27.0 °C(Predicted)
• Appearance: /
• Density: 1.351±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: -0.86±0.22(Predicted)
• CAS DataBase Reference: (3-Nitro-pyridin-2-yl)-acetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: (3-Nitro-pyridin-2-yl)-acetonitrile(123846-65-1)
• EPA Substance Registry System: (3-Nitro-pyridin-2-yl)-acetonitrile(123846-65-1)

Safety Data

• Hazardous Substances Data: 123846-65-1(Hazardous Substances Data)

Usage

General Description

(3-Nitro-pyridin-2-yl)-acetonitrile is a chemical compound with the molecular formula C7H5N3O2. It is a nitro-substituted pyridine derivative with a nitrile functional group. (3-Nitro-pyridin-2-yl)-acetonitrile is used in the synthesis of various pharmaceuticals and agrochemicals, as well as in organic chemical reactions as a building block for the formation of more complex molecules. It is important to handle this chemical with care, as it may be harmful if ingested, inhaled, or in contact with skin, and it may also be harmful to aquatic organisms. Additionally, it should be stored in a cool, dry, well-ventilated area away from incompatible materials and sources of ignition.

Upstream product

• 123846-70-8 Cyano-(3-nitro-pyridin-2-yl)-acetic acid tert-butyl ester 
• 313366-96-0 ethyl (3-nitro-1,2-dihydro-2-pyridylidene)cyanoacetate 
• 142-08-5 2-Pyridone 
• 5470-18-8 2-Chloro-3-nitropyridine 
• 6332-56-5 3-nitropyridone 

Downstream Products

• 25797-03-9 2-phenyl-1H-pyrrolo[3,2-b]pyridine 
• 153374-33-5 1-methyl-1H-pyrrolo[3,2-b]pyridine 
• 1060718-02-6 (Z)-3-(4-methoxyphenyl)-2-(3-nitropyridin-2-yl)acrylonitrile 
• 1018949-67-1 (3-aminopyridin-2-yl)acetonitrile 
• 272-49-1 1H-pyrrolo[3,2-b]pyridine 

Relevant articles and documents

Synthesis and photochromic properties of 2-(3-nitro-2-pyridylmethyl)benzazoles

2-(3-Nitro-2-pyridylmethyl)benzazoles were synthesized, and their photochromic properties were studied by flash photolysis. Introduction of a nitropyridyl instead of the nitrophenyl moiety into the 2-methyl group insignificantly increases the basicity of the methylene group. Nitropyridyl-substituted benzazoles give rise to three detectable photoinduced forms: the corresponding union at pH > 10, azamerocyanine at pH ≈ 4, and monomethinecyanine at pH ≈ 1. Irradiation of solutions of weakly basic henzoxazole and benzothiazole derivatives at pH ≈ 4 results in formation of neutral chelate structures in which the hydrogen atom is linked simultaneously to two nitrogen atoms: one in the pyridine ring, and the second, in the azole ring.

Synthesis of Some Nitropyridylacetonitriles

A new synthesis of nitropyridylacetonitriles 4 has been developed, using tert-butyl cyanoacetate and the corresponding chloropyridines 2.The tert-butyl esters are removed by acid-catalyzed dealkoxycarbonylation.