Isonicotinamide

Basic Information

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CAS Number

1453-82-3

Molecular Formula

C6H6N2O

Molecular Weight

122.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

155-157 °C

Boiling Point

227.52°C (rough estimate)

Water Solubility

191.7 g/L (37 ºC)

Flash Point

156 °C

Refractive Index

1.5350 (estimate)

SMILES

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NC(=O)c1ccncc1

InChI

InChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)

InChIKey

VFQXVTODMYMSMJ-UHFFFAOYSA-N

LogP

0.18049999999999994

Topological Polar Surface Area

55.980000000000004 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

108

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

Synonyms & References

English

Isonicotinamide
Isonicotinamide, (Pyridine-4-carboxamide)
Pyridine-4-carboxamide
4-Pyridinecarboxamide
NSC 82353
Isonicotimide
AURORA KA-3066
Isonicotinamid
IsoniacinaMide
4-AMidopyridine
4-Carbamoylpyridine
Pyridine-4-carbamide
Isonicotinamide99%
ISONICOTINAMIDE
pyridine-4-carboxamide

MDL Number

MFCD00006432

Customs Code

29333999

FAQ

What is Isonicotinamide (CAS: 1453-82-3)?

Isonicotinamide, with the CAS number 1453-82-3, is a white crystalline solid and a derivative of nicotinic acid. It has a molecular formula of C6H6N2O and is commonly used in pharmaceutical and research applications. The compound exhibits solubility in water and ethanol, and it is known for its role as a precursor in drug synthesis and metabolic processes.

What are the main uses of Isonicotinamide (CAS: 1453-82-3)?

Isonicotinamide (CAS: 1453-82-3) is widely utilized in pharmaceuticals for producing drugs like isoniazid. It also serves as a key intermediate in agrochemicals, nutritional supplements, and polymer synthesis. In research, it acts as a reagent for organic reactions and is studied for its potential in biochemistry and medicinal chemistry applications.

Is Isonicotinamide (CAS: 1453-82-3) safe?

Isonicotinamide (CAS: 1453-82-3) is generally considered safe when handled properly. However, it may cause mild irritation upon contact with skin or eyes. Safety data sheets recommend using protective gloves and ensuring adequate ventilation. It complies with standard chemical safety regulations but should be avoided in high concentrations to minimize risks.

How should Isonicotinamide (CAS: 1453-82-3) be stored?

Isonicotinamide (CAS: 1453-82-3) should be stored in a cool, dry place away from light. Keep in a sealed container to prevent moisture absorption and maintain stability. Storage conditions should ideally be below 25°C with low humidity. Avoid exposure to air and heat to preserve its chemical integrity and prolong shelf life.