1-(4-Pyridinyl)ethanone

Basic Information

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CAS Number

1122-54-9

Molecular Formula

C7H7NO

Molecular Weight

121.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

13-16 °C

Boiling Point

212 °C

Solubility

greater than or equal to 100 mg/mL at 66° F (NTP, 1992)

Refractive Index

n20/D 1.529(lit.)

Vapor Pressure

4.9 mm Hg at 77 °F ; 6.1 mm Hg at 94.1° F (NTP, 1992)

SMILES

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CC(=O)c1ccncc1

InChI

InChI=1S/C7H7NO/c1-6(9)7-2-4-8-5-3-7/h2-5H,1H3

InChIKey

WMQUKDQWMMOHSA-UHFFFAOYSA-N

LogP

1.2842

Topological Polar Surface Area

29.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

106

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

Sensitiveness

sensitive to light and air

Synonyms & References

English

4-Acetylpyridine
RARECHEM AH CK 0016
1-(4-pyridinyl)-ethanon
1-(4-Pyridinyl)ethanone
1-pyridin-4-yl-ethanone
4-acetyl-pyridin
4-Pyridyl methyl ketone
gamma-Acetylpyridine
Ketone, methyl 4-pyridyl
Pyridine, 4-acetyl-
Methyl (4-pyridyl) methanone
4-ACETYLPYRIDINE STANDARD FOR GC
Ethanone, 1-(4-pyridinyl)- (9CI)
Acetylpyridine,4-
Ethanone, 1-(4-pyridinyl)-
1-pyridin-4-ylethanone
Methyl 4-pyridyl ketone

MDL Number

MFCD00006433

Customs Code

29333999

FAQ

What is 1-(4-Pyridinyl)ethanone (CAS: 1122-54-9)?

1-(4-Pyridinyl)ethanone (CAS: 1122-54-9) is a ketone derivative with the chemical formula C8H7NO2. It features a pyridine ring attached to an acetyl group and is known for its aromatic characteristics. This compound is commonly used as an intermediate in organic synthesis due to its reactivity and structural versatility.

What are the main uses of 1-(4-Pyridinyl)ethanone (CAS: 1122-54-9)?

1-(4-Pyridinyl)ethanone (CAS: 1122-54-9) is primarily utilized in pharmaceutical research for synthesizing active pharmaceutical ingredients (APIs), particularly in drug development targeting central nervous system disorders. It also serves as a key intermediate in industrial chemical processes and research applications involving functional group modifications.

Is 1-(4-Pyridinyl)ethanone (CAS: 1122-54-9) safe?

1-(4-Pyridinyl)ethanone (CAS: 1122-54-9) requires careful handling due to potential toxicity. It may irritate skin, eyes, and respiratory systems, so protective measures like gloves, goggles, and proper ventilation are essential. Safety standards emphasize adherence to OSHA guidelines and avoiding prolonged exposure to ensure safe use in laboratories and industrial settings.

How should 1-(4-Pyridinyl)ethanone (CAS: 1122-54-9) be stored?

1-(4-Pyridinyl)ethanone (CAS: 1122-54-9) should be stored in a tightly sealed container in a cool, dry place (below 25°C), away from light. Maintaining low humidity (under 60%) is critical to prevent degradation. It is recommended to store in a flammable storage cabinet and ensure proper labeling for safe handling and long-term stability.