1-(4-Chloro-2-pyridinyl)-1-propanone

Basic Information

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CAS Number

896139-36-9

Molecular Formula

C8H8ClNO

Molecular Weight

169.61 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

Boiling Point

254.3±25.0°C at 760 mmHg

SMILES

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CCC(=O)C1=NC=CC(=C1)Cl

InChI

InChI=1S/C8H8ClNO/c1-2-8(11)7-5-6(9)3-4-10-7/h3-5H,2H2,1H3

InChIKey

BYWBPEJZCDHZJO-UHFFFAOYSA-N

LogP

2.3277

Topological Polar Surface Area

29.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

149

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

SB52422
A861122
FT-0699167
AKOS006314206
1-(4-Chloro-2-pyridinyl)-1-propanone
896139-36-9
1-Propanone, 1-(4-chloro-2-pyridinyl)-
DS-8477
CS-0061426
1-(4-CHLOROPYRIDIN-2-YL)PROPAN-1-ONE
WKB13936
FD10573
DTXSID601289265
1-(4-Chloropyridin-2-yl)propan-1-one
4-chloro-2-propanoylpyridine
AK146218
FCH874962
AX8283883
ST24037352
1-(4-Chloro-2-pyridinyl)-1-propanone (ACI)

MDL Number

MFCD09863875

FAQ

What are the physical and chemical properties of 1-(4-Chloro-2-pyridinyl)-1-propanone (CAS: 896139-36-9)?

1-(4-Chloro-2-pyridinyl)-1-propanone (CAS: 896139-36-9) is a crystalline solid with a molecular weight of approximately 180.03 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. Chemically, it is highly reactive, particularly with nucleophiles, and is used in organic synthesis due to its electrophilic character. It is stable under normal storage conditions but should be protected from moisture and light.

How is 1-(4-Chloro-2-pyridinyl)-1-propanone (CAS: 896139-36-9) typically synthesized?

1-(4-Chloro-2-pyridinyl)-1-propanone (CAS: 896139-36-9) is typically synthesized via an electrophilic aromatic substitution reaction using 4-chloropyridine and a protonating agent like triflic acid. The reaction is performed under mild conditions to achieve good yield and selectivity. Catalysts such as Lewis acids can enhance the reaction efficiency.

What industries use 1-(4-Chloro-2-pyridinyl)-1-propanone (CAS: 896139-36-9)?

1-(4-Chloro-2-pyridinyl)-1-propanone (CAS: 896139-36-9) is primarily used in the pharmaceutical and fine chemical industries for the synthesis of various drug intermediates and APIs. It is also utilized in the polymer industry for functionalization purposes and in the development of sensors and semiconductors.

What precautions should be taken when handling 1-(4-Chloro-2-pyridinyl)-1-propanone (CAS: 896139-36-9)?

When handling 1-(4-Chloro-2-pyridinyl)-1-propanone (CAS: 896139-36-9), wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure the use of a fume hood to minimize inhalation risks. Store it in a dry, cool place away from direct sunlight. In case of spill, follow the safety data sheet (SDS) for disposal instructions and clean up carefully.