4-Nitronicotinic acid 1-oxide

Basic Information

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CAS Number

1078-05-3

Molecular Formula

C6H4N2O5

Molecular Weight

184.11 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

170-172°C

Boiling Point

553.6°Cat760mmHg

Density

1.69

Flash Point

288.6°C

Refractive Index

1.653

SMILES

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

InChI

InChI=1S/C6H4N2O5/c9-6(10)4-3-7(11)2-1-5(4)8(12)13/h1-3H,(H,9,10)

InChIKey

OYLXIYDCLHUDQV-UHFFFAOYSA-N

LogP

1.24470

Complexity

226

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

1078-05-3
A801758
4-nitronicotinic acid 1-oxide
MFCD03426925
3-CARBOXY-4-NITROPYRIDIN-1-IUM-1-OLATE
AC-6152
4-nitro-3-pyridinecarboxylic acid-1-oxide
CS-0213192
FT-0658193
NSC51401
3-Carboxy-4-nitropyridine 1-oxide
AKOS002665587
AI-942/25121065
SCHEMBL8549795
4-nitro-1-oxidopyridin-1-ium-3-carboxylic acid
NSC-51401
DTXSID00287511
BS-23272
3-Carboxy-4-nitropyridine1-oxide
4-Nitronicotinic acid N-oxide
4-Nitropyridine-3-carboxylic acid N-oxide
1-hydroxy-4-nitropyridine-3-carboxylic acid
4-nitro-1-oxy-nicotinic acid
4-Nitro-1-oxy-nicotinsaeure
4-nitro-3-carboxypyridine 1-oxide
4-Nitro-3-pyridinecarboxylic acid N-oxide
3-PYRIDINECARBOXYLIC ACID, 4-NITRO-, 1-OXIDE
4-nitro-1-oxido-pyridin-1-ium-3-carboxylic acid
4-nitro-1-oxidanidyl-pyridin-1-ium-3-carboxylic acid
SPECS AI-942
SPECS AI-942/25121065

MDL Number

MFCD03426925

FAQ

What are the physical and chemical properties of 4-Nitronicotinic acid 1-oxide (CAS: 1078-05-3)?

4-Nitronicotinic acid 1-oxide (CAS: 1078-05-3) is a crystalline solid with a molecular weight of approximately 172.12 g/mol. It has a high solubility in water and a lower solubility in organic solvents. This compound is moderately reactive, exhibiting properties typical of carboxylic acid derivatives. It can undergo typical esterification and amidation reactions.

How is 4-Nitronicotinic acid 1-oxide (CAS: 1078-05-3) typically synthesized?

4-Nitronicotinic acid 1-oxide can be synthesized through the nitration of nicotinic acid followed by the formation of the oxime derivative. The nitration step typically requires concentrated nitric acid and sulfuric acid as a catalyst. The oxime formation is achieved by reacting the nitro compound with hydroxylamine under basic conditions.

What industries use 4-Nitronicotinic acid 1-oxide (CAS: 1078-05-3)?

4-Nitronicotinic acid 1-oxide (CAS: 1078-05-3) is primarily used in the pharmaceutical industry for the synthesis of drugs, particularly those involving derivatives of nicotinic acid. It also finds applications in polymer industry for modifying polymer properties and in the production of sensors and semiconductors for specific electronic applications.

What precautions should be taken when handling 4-Nitronicotinic acid 1-oxide (CAS: 1078-05-3)?

When handling 4-Nitronicotinic acid 1-oxide (CAS: 1078-05-3), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure that all handling takes place in a well-ventilated area or a fume hood. Proper storage should be in a cool, dry place away from sources of heat and ignition. In case of a spill, it should be cleaned up immediately using appropriate safety measures and materials. Refer to the Safety Data Sheet (SDS) for detailed safety instructions.