4-Chloro-2(1H)-pyrimidinone

Basic Information

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CAS Number

80927-55-5

Molecular Formula

C4H3ClN2O

Molecular Weight

130.53 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

SMILES

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ClC1=NC(=O)NC=C1

InChI

InChI=1S/C4H3ClN2O/c5-3-1-2-6-4(8)7-3/h1-2H,(H,6,7,8)

InChIKey

KVHNGYWHLLJFNQ-UHFFFAOYSA-N

LogP

0.4233

Topological Polar Surface Area

45.75 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Synonyms & References

English

6-Chloropyrimidin-2(1H)-one
2(1H)-Pyrimidinone, 6-chloro-
6-chloro-1H-pyrimidin-2-one
4-Chloro-2(1H)-pyrimidinone

MDL Number

MFCD16987910

FAQ

What are the physical and chemical properties of 4-Chloro-2(1H)-pyrimidinone (CAS: 80927-55-5)?

4-Chloro-2(1H)-pyrimidinone is a yellow crystalline solid with a molecular weight of 133.55 g/mol. It has a pKa of approximately 6.5 and is slightly soluble in water. It is reactive towards nucleophiles and exhibits good stability under normal conditions.

How is 4-Chloro-2(1H)-pyrimidinone (CAS: 80927-55-5) typically synthesized?

4-Chloro-2(1H)-pyrimidinone can be synthesized by the condensation of chloroformic acid with urea. This reaction typically requires a base catalyst and proceeds with good yield. Other methods include direct chlorination of pyrimidine derivatives or via the Wittig reaction.

What industries use 4-Chloro-2(1H)-pyrimidinone (CAS: 80927-55-5)?

4-Chloro-2(1H)-pyrimidinone is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those containing pyrimidine derivatives. It is also used in the polymer industry for the development of specific polymers and in the semiconductor industry for certain electronic applications.

What precautions should be taken when handling 4-Chloro-2(1H)-pyrimidinone (CAS: 80927-55-5)?

When handling 4-Chloro-2(1H)-pyrimidinone, it is important to use appropriate personal protective equipment (PPE) such as gloves and goggles. It should be stored in a cool, dry place away from direct sunlight and sources of heat. In case of spill, use appropriate spill response equipment and follow local safety regulations.