Nicotinonitrile 1-oxide

Basic Information

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CAS Number

149060-64-0

Molecular Formula

C6H4N2O

Molecular Weight

275.73 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

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C6H4N2O/c7-4-6-2-1-3-8(9)5-6/h1-3,5H

InChIKey

WOOVSQCALYYUDO-UHFFFAOYSA-N

LogP

1.4700999999999997

Topological Polar Surface Area

81.78 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

137

Synonyms & References

English

InChI=1/C6H4N2O/c7-4-6-2-1-3-8(9)5-6/h1-3,5H
MFCD00129037
149060-64-0
BL6J8CUN5R
3-Cyanopyridine 1-oxide
3-cyanopyridine-1-oxide
A808839
NSC-170850
DTXSID10164162
1-oxo-2H-pyridin-1-ium-3-carbonitrile;3-Cyanopyridine-N-oxide
BCP07196
NS00052753
N-OXO-3-CYANO PYRIDINE
WOOVSQCALYYUDO-UHFFFAOYSA-N
AS-19776
WOOVSQCALYYUDO-UHFFFAOYSA-
FT-0697719
C3416
NICOTINONITRILE-1-OXIDE
14906-64-0
3-cyanopyridin-1-ium-1-olate
W-205686
1-oxidopyridin-1-ium-3-carbonitrile
SCHEMBL1338520
Nicotinonitrile 1-oxide
AKOS006229569
3-Pyridinecarbonitrile, 1-oxide
3-Cyanopyridine-N-oxide
3-Cyanopyridine N-oxide
HEXYLP-METHOXYPHENYLKETONE
Nicotinonitrile, 1-oxide

MDL Number

MFCD00129037

FAQ

What are the physical and chemical properties of Nicotinonitrile 1-oxide (CAS: 149060-64-0)?

Nicotinonitrile 1-oxide (CAS: 149060-64-0) is a crystalline solid with a molecular weight of approximately 134.12 g/mol. It is slightly soluble in water and has good solubility in organic solvents such as ethanol and acetone. Chemically, it is moderately reactive, particularly towards nucleophiles and reducing agents.

How is Nicotinonitrile 1-oxide (CAS: 149060-64-0) typically synthesized?

Nicotinonitrile 1-oxide can be synthesized through the oxidation of nicotinonitrile using potassium permanganate or other strong oxidizers. The reaction typically yields high selectivity and a high product yield, making it a suitable method for industrial production.

What industries use Nicotinonitrile 1-oxide (CAS: 149060-64-0)?

Nicotinonitrile 1-oxide finds applications in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also used in the production of organic compounds and as a reagent in analytical chemistry and sensor technology.

What precautions should be taken when handling Nicotinonitrile 1-oxide (CAS: 149064-0)?

When handling Nicotinonitrile 1-oxide, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up with appropriate absorbent materials and handled according to the material safety data sheet (MSDS/SDS).