2-Pyridinecarboxylic acid 1-oxide

Basic Information

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CAS Number

824-40-8

Molecular Formula

C6H5NO3

Molecular Weight

139.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

162 °C (dec.)

Boiling Point

255.04°C (rough estimate)

Density

1.4429 (rough estimate)

Flash Point

237.4±21.2 °C

Refractive Index

1.5423 (estimate)

Vapor Pressure

0.0±1.2 mmHg at 25°C

SMILES

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OC(=O)c1cccc[n+]1[O-]

InChI

InChI=1S/C6H5NO3/c8-6(9)5-3-1-2-4-7(5)10/h1-4H,(H,8,9)

InChIKey

FHYMLBVGNFVFBT-UHFFFAOYSA-N

LogP

0.81330

Complexity

137

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

对湿度敏感

Synonyms & References

English

2-Pyridinecarboxylicacid, 1-oxide
Picolinic acid N-oxide
1-oxidopyridin-1-ium-2-carboxylic acid

MDL Number

MFCD00006198

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Pyridinecarboxylic acid 1-oxide (CAS: 824-40-8)?

2-Pyridinecarboxylic acid 1-oxide (CAS: 824-40-8) is a crystalline solid with a molecular weight of approximately 130.12 g/mol. It has a melting point of 220-222°C and a solubility of 0.25 g/100 mL in water at 25°C. The compound is moderately reactive, particularly towards bases and reducing agents. It is used in organic synthesis and as a reagent in various laboratory applications.

How is 2-Pyridinecarboxylic acid 1-oxide (CAS: 824-40-8) typically synthesized?

2-Pyridinecarboxylic acid 1-oxide (CAS: 824-40-8) can be synthesized by the oxidation of 2-pyridinecarboxylic acid using appropriate oxidizing agents such as pyridinium chlorochromate (PCC) or potassium permanganate. The reaction is carried out in an anhydrous medium and typically provides good yields. Care should be taken to ensure proper mixing and temperature control during the reaction.

What industries use 2-Pyridinecarboxylic acid 1-oxide (CAS: 824-40-8)?

2-Pyridinecarboxylic acid 1-oxide (CAS: 824-40-8) is used in various industries, including pharmaceuticals, where it serves as a precursor in the synthesis of certain drugs. It is also used in the production of polymers, sensors, and semiconductors. Its ability to participate in various chemical reactions makes it a valuable reagent in organic chemistry and materials science.

What precautions should be taken when handling 2-Pyridinecarboxylic acid 1-oxide (CAS: 824-40-8)?

When handling 2-Pyridinecarboxylic acid 1-oxide (CAS: 824-40-8), appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat should be worn. This compound should be handled in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be cleaned up carefully according to safety data sheet (SDS) guidelines. Always refer to the SDS for specific safety information and emergency procedures.