Isonicotinonitrile 1-oxide

Basic Information

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CAS Number

14906-59-3

Molecular Formula

C6H4N2O

Molecular Weight

120.11 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

Melting Point

227.0 to 232.0 deg-C

Boiling Point

382.7 °C at 760 mmHg

Density

1.14

Flash Point

185.3 °C

Solubility

1 M NH4OH: soluble5mg/mL, clear, colorless (methanol)

Refractive Index

1.567

SMILES

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C1=C[N+](=CC=C1C#N)[O-]

InChI

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

InChIKey

QNCSFBSIWVBTHE-UHFFFAOYSA-N

LogP

0.98678

Complexity

129

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

BCP18494
NS00024878
4-cyanopyridin-1-ium-1-olate
MFCD00006205
SY035733
Isonicotinonitrile, 1-oxide
AKOS015891508
ETHYL2-METHYL-4,5,6,7-TETRAFLUOROBENZOFURAN-3-CARBOXYLATE
NSC-132883
4-Pyridinecarbonitrile 1-oxide
FT-0618311
NSC132883
AMY12153
4-Cyanopyridine N-oxide
4-Cyanopyridine-N-oxide
4-Cyanopyridinium-1-olate
InChI=1/C6H4N2O/c7-5-6-1-3-8(9)4-2-6/h1-4
SCHEMBL190424
CL0281
4-Cyanopyridine oxide
4-cyanopyridinium-1-olate; 4-cyanopyridine oxide; 4-pyridinecarbonitrile 1-oxide
4-Cyanopyridine 1-oxide
W-108093
4-Pyridinecarbonitrile, 1-oxide
1-oxidopyridin-1-ium-4-carbonitrile
iso-Nicotinonitrile N-Oxide
4-Cyanopyridine N-oxide, 96%
Isonicotinonitrile N-Oxide
14906-59-3
QNCSFBSIWVBTHE-UHFFFAOYSA-N
EN300-156540

MDL Number

MFCD00006205

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Isonicotinonitrile 1-oxide (CAS: 14906-59-3)?

Isonicotinonitrile 1-oxide (CAS: 14906-59-3) is a crystalline solid with a molecular weight of approximately 142.13 g/mol. It has a melting point of 116-118°C and is slightly soluble in water. It is reactive towards basic compounds and can undergo hydrolysis. The compound is also prone to decomposition under acidic conditions.

How is Isonicotinonitrile 1-oxide (CAS: 14906-59-3) typically synthesized?

Isonicotinonitrile 1-oxide is typically synthesized by the reaction of isonicotinoyl chloride with hydroxylamine hydrochloride. This process involves the condensation of the amide with a nitrile to form the 1-oxide derivative. The reaction is catalyzed by a base such as triethylamine and occurs in an organic solvent like dichloromethane. The yield is usually around 75-85%.

What industries use Isonicotinonitrile 1-oxide (CAS: 14906-59-3)?

Isonicotinonitrile 1-oxide (CAS: 14906-59-3) is primarily used in the pharmaceutical and chemical industries for the synthesis of various organic compounds. It finds applications in the development of new drugs and as a precursor in the production of certain polymers. Additionally, it is used in the preparation of chemical sensors and in semiconductor manufacturing processes.

What precautions should be taken when handling Isonicotinonitrile 1-oxide (CAS: 14906-59-3)?

When handling Isonicotinonitrile 1-oxide (CAS: 14906-59-3), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a laboratory coat. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling and emergency procedures.