1-(3-Chloro-2-pyridinyl)ethanone

Basic Information

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CAS Number

131109-75-6

Molecular Formula

C7H6ClNO

Molecular Weight

155.58 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC(=O)C1=C(C=CC=N1)Cl

InChI

InChI=1S/C7H6ClNO/c1-5(10)7-6(8)3-2-4-9-7/h2-4H,1H3

InChIKey

GMXZSVFWDQBSFR-UHFFFAOYSA-N

LogP

1.9376

Topological Polar Surface Area

29.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

138

Synonyms & References

English

SCHEMBL365395
DS-5882
PB28312
AKOS016000898
A850358
1-(3-Chloropyridin-2-yl)ethanone
DTXSID40562551
FT-0714485
EN300-99995
acetyl-pyridine chloride
GMXZSVFWDQBSFR-UHFFFAOYSA-N
MFCD11656222
Ethanone, 1-(3-chloro-2-pyridinyl)-
1-(3-Chloro-2-pyridyl)ethanone
1-(3-Chloropyridin-2-yl)ethan-1-one
131109-75-6
2-Acetyl-3-chloropyridine
AMY5404
CS-0052888
2-ACETYL-3-CHLOROPYRIDINE
1-(3-chloropyridin-2-yl)ethanone
1-(3-chloropyridin-2-yl)ethan-1-one

MDL Number

MFCD11656222

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 1-(3-Chloro-2-pyridinyl)ethanone (CAS: 131109-75-6)?

1-(3-Chloro-2-pyridinyl)ethanone is a crystalline solid with a molecular weight of 169.59 g/mol. It has a solubility of approximately 1.4 g/100 mL in water and is slightly soluble in common organic solvents. Chemically, it is moderately reactive, showing some electrophilic aromatic substitution potential. Its purity can be confirmed using analytical techniques such as NMR and LC-MS.

How is 1-(3-Chloro-2-pyridinyl)ethanone (CAS: 131109-75-6) typically synthesized?

1-(3-Chloro-2-pyridinyl)ethanone is commonly synthesized through electrophilic aromatic substitution of 2-chloro-3-pyridinecarbaldehyde. The reaction typically involves the use of a Lewis acid catalyst like aluminum chloride, with yields ranging from 60% to 80%. The product is isolated through recrystallization or distillation.

What industries use 1-(3-Chloro-2-pyridinyl)ethanone (CAS: 131109-75-6)?

1-(3-Chloro-2-pyridinyl)ethanone finds applications in the pharmaceutical industry, where it is used as an intermediate in the synthesis of drugs. It is also utilized in the development of certain sensors and in the production of specialized polymers. Its use in semiconductors is limited but may be explored in niche applications.

What precautions should be taken when handling 1-(3-Chloro-2-pyridinyl)ethanone (CAS: 131109-75-6)?

When handling 1-(3-Chloro-2-pyridinyl)ethanone, ensure proper ventilation and use a fume hood. Wear appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat. Avoid skin contact and inhalation. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.