Nicotinic acid N-oxide

Basic Information

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CAS Number

2398-81-4

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

254-255 °C (dec.)

Boiling Point

255.04°C (rough estimate)

Flash Point

237.4ºC

Solubility

benzene: insoluble

Refractive Index

1.5423 (estimate)

SMILES

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

InChI

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

InChIKey

FJCFFCXMEXZEIM-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

Synonyms & References

English

Tox21_112319_1
NCGC00166106-03
HMS3264A16
NSC 93890
N0497
Nicotinic acid 1-oxide
AC8656
Acidum oxiniacicum [INN-Latin]
Acido oxiniacico [INN-Spanish]
Nicotinic acid N-oxide, 99%
AB01563244_01
Q27294770
AKOS000120397
AJ-333/25022123
Acide oxiniacique
MFCD00006201
CAS-2398-81-4
SCHEMBL129209
1-oxidopyridin-1-ium-3-carboxylic acid
NSC760387
F2191-0174
DTXSID2046543
BDBM50427220
3-carboxypyridin-1-ium-1-olate
DTXCID0026543
Acide oxiniacique [INN-French]
NS00027528
EN300-20386
SR-01000944277-1
J-015305
NCGC00166106-01

MDL Number

MFCD00006201

Customs Code

2933399090

FAQ

What is Nicotinic acid N-oxide (CAS: 2398-81-4)?

Nicotinic acid N-oxide (CAS: 2398-81-4) is an organic compound with the molecular formula C6H5NO3. It is a stable form of nicotinic acid, exhibiting mildly acidic properties. It is used in various applications, including pharmaceuticals and research.

What are the main uses of Nicotinic acid N-oxide (CAS: 2398-81-4)?

Nicotinic acid N-oxide (CAS: 2398-81-4) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of other nicotinic acid derivatives. It is also employed in research for its biological activity.

Is Nicotinic acid N-oxide (CAS: 2398-81-4) safe?

Nicotinic acid N-oxide (CAS: 2398-81-4) is considered safe for laboratory use when handled with appropriate caution. Proper personal protective equipment (PPE) such as gloves and goggles should be worn to prevent skin and eye contact. Avoid inhaling dust or fumes.

How should Nicotinic acid N-oxide (CAS: 2398-81-4) be stored?

Nicotinic acid N-oxide (CAS: 2398-81-4) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and light exposure. Store in a well-ventilated area and handle in a fume hood if necessary.