(5-Nitro-2-pyridinyl)acetonitrile

Basic Information

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CAS Number

123846-66-2

Molecular Formula

C7H5N3O2

Molecular Weight

163.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

66.0-66.5 ºC

Boiling Point

342 ºC

Flash Point

161 ºC

Refractive Index

1.583

SMILES

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C1=CC(=NC=C1[N+](=O)[O-])CC#N

InChI

InChI=1S/C7H5N3O2/c8-4-3-6-1-2-7(5-9-6)10(11)12/h1-2,5H,3H2

InChIKey

PHCKNSBYAFTJKZ-UHFFFAOYSA-N

LogP

1.57908

Complexity

214

Synonyms & References

English

AM20050726
A21566
2-(5-NITROPYRIDIN-2-YL)ACETONITRILE
5-NITRO-2-PYRIDINEACETONITRILE
J-517871
AKOS005259488
MFCD09033814
SY011019
EN300-129333
2-(5-nitropyridin-2-yl)acetonitrile;2-(5-Nitro-2-pyridinyl)acetonitrile
PHCKNSBYAFTJKZ-UHFFFAOYSA-N
CS-0092651
DTXSID60475851
AB49407
(5-Nitro-pyridin-2-yl)-acetonitrile
2-(5-NITRO-2-PYRIDINYL)ACETONITRILE
SCHEMBL359255
2-Pyridineacetonitrile, 5-nitro-
FT-0688588
123846-66-2
2-CYANOMETHYL-5-NITROPYRIDINE
AS-40106
(5-NITROPYRIDIN-2-YL)ACETONITRILE
5-Nitro-2-pyridineacetonitrile
(5-Nitropyridin-2-yl)acetonitrile
2-(5-Nitro-2-pyridinyl)acetonitrile
2-(5-Nitropyridin-2-yl)acetonitrile
2-(5-Nitropyridine-2-yl)acetonitrile
2-cyanomethyl-5-nitropyridine
2-Pyridineacetonitrile,5-nitro-
2-(5-nitropyridyl-2-yl)acetonitrile

MDL Number

MFCD09033814

Customs Code

2933399090

FAQ

What are the physical and chemical properties of (5-Nitro-2-pyridinyl)acetonitrile (CAS: 123846-66-2)?

(5-Nitro-2-pyridinyl)acetonitrile is a crystalline solid at room temperature. Its molecular weight is approximately 184.12 g/mol. It is sparingly soluble in water but soluble in common organic solvents like ethanol and acetone. The compound is moderately reactive, particularly with nucleophiles and reducing agents. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is (5-Nitro-2-pyridinyl)acetonitrile (CAS: 123846-66-2) typically synthesized?

(5-Nitro-2-pyridinyl)acetonitrile is commonly synthesized via the nitration of 2-pyridinylacetonitrile using concentrated nitric acid as the oxidizing agent. The reaction is carried out under reflux conditions, and the product is typically obtained with good selectivity and yield. Proper handling of nitric acid and other reagents is necessary to ensure safety and efficiency.

What industries use (5-Nitro-2-pyridinyl)acetonitrile (CAS: 123846-66-2)?

(5-Nitro-2-pyridinyl)acetonitrile is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of certain drugs. It also finds applications in the preparation of sensors and as a building block in the synthesis of materials for semiconductors. Its use in polymers is limited but it can be used in specific applications requiring specific chemical functionalities.

What precautions should be taken when handling (5-Nitro-2-pyridinyl)acetonitrile (CAS: 123846-66-2)?

When handling (5-Nitro-2-pyridinyl)acetonitrile, it is important to wear appropriate personal protective equipment (PPE), including gloves, lab coat, and safety goggles. The substance should be used in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. In case of exposure, seek medical attention and refer to the Material Safety Data Sheet (MSDS) for further instructions. This compound is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight and sources of ignition.