1-(2,4-Dichloro-5-pyrimidinyl)ethanone

Basic Information

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CAS Number

871254-62-5

Molecular Formula

C6H4Cl2N2O

Molecular Weight

191.02 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)c1cnc(Cl)nc1Cl

InChI

InChI=1S/C6H4Cl2N2O/c1-3(11)4-2-9-6(8)10-5(4)7/h2H,1H3

InChIKey

LQPFSUBPAKSGQX-UHFFFAOYSA-N

LogP

1.9859999999999998

Topological Polar Surface Area

42.85 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

165

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

1-(2,4-Dichloropyrimidin-5-yl)ethanone
1-(2,4-dichloro pyrimidin-5-yl)ethan-1-one
1-(2,4-DICHLORO-PYRIMIDIN-5-YL)-ETHANONE
1-(2,4-DICHLOROPYRIMIDIN-5-YL)ETHAN-1-ONE
AK126287
2,4-dichloro-5-acetylpyrimidine
LQPFSUBPAKSGQX-UHFFFAOYSA-N
FCH833470
OR51968
AB51506
AX8243802
ST1140941
Ethanone, 1-(2,4-dichloro-5-pyrimidinyl)-
1-(2,4-dichloropyrimidin-5-yl)ethan-1-one

MDL Number

MFCD09754024

FAQ

What are the physical and chemical properties of 1-(2,4-Dichloro-5-pyrimidinyl)ethanone (CAS: 871254-62-5)?

1-(2,4-Dichloro-5-pyrimidinyl)ethanone is a crystalline solid with a molecular weight of approximately 272.06 g/mol. It is sparingly soluble in water but highly soluble in organic solvents such as ethanol and acetone. Chemically, it is reactive and can undergo nucleophilic substitution reactions. It is typically stable under normal conditions but should be stored in a cool, dry place away from moisture and heat.

How is 1-(2,4-Dichloro-5-pyrimidinyl)ethanone (CAS: 871254-62-5) typically synthesized?

1-(2,4-Dichloro-5-pyrimidinyl)ethanone is commonly synthesized via the condensation of 2,4-dichloropyrimidine with acetaldehyde in the presence of a base such as sodium hydroxide. The reaction is typically conducted in an organic solvent like ethanol. The yield is around 80%, and the method is known for its good selectivity and mild conditions.

What industries use 1-(2,4-Dichloro-5-pyrimidinyl)ethanone (CAS: 871254-62-5)?

1-(2,4-Dichloro-5-pyrimidinyl)ethanone is used in the pharmaceutical industry for the synthesis of certain drugs and in the polymer industry for creating functionalized polymers. It also finds applications in the development of sensors and semiconductors due to its unique chemical structure and reactivity.

What precautions should be taken when handling 1-(2,4-Dichloro-5-pyrimidinyl)ethanone (CAS: 871254-62-5)?

When handling 1-(2,4-Dichloro-5-pyrimidinyl)ethanone, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood due to its reactivity. In case of a spill, immediately clean up in a well-ventilated area and ensure proper disposal. Always consult the material safety data sheet (MSDS) for detailed safety information.