3-Chloro-2(1H)-pyrazinone

Basic Information

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CAS Number

105985-17-9

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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Clc1ncc[nH]c1=O

InChI

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

InChIKey

GRTBIIMNXROPAX-UHFFFAOYSA-N

LogP

0.4233

Topological Polar Surface Area

45.75 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

173

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

3-Chloropyrazin-2(1H)-one
3-chloro-1H-pyrazin-2-one
3-Chloro-pyrazin-2-ol
3-chloropyrazin-2-ol
3-Chloro-2(1H)-pyrazinone
3-chloro-1,2-dihydropyrazin-2-one
2-Chloro-3-hydroxypyrazine
3-chloro pyrazinone
2(1H)-Pyrazinone, 3-chloro-
NE58580
AK126288
BB 0261547

MDL Number

MFCD18427098

FAQ

What is 3-Chloro-2(1H)-pyrazinone (CAS: 105985-17-9)?

3-Chloro-2(1H)-pyrazinone, also known as 3-chloropyrazin-2(3H)-one, is a chemical compound with the CAS number 105985-17-9. It is a yellow solid with a molecular formula of C6H4ClN3O and a molecular weight of 162.58 g/mol. It has a melting point of 166-168°C and is slightly soluble in water.

What are the main uses of 3-Chloro-2(1H)-pyrazinone (CAS: 105985-17-9)?

3-Chloro-2(1H)-pyrazinone is primarily used in the synthesis of pharmaceuticals, particularly for the production of antifungal and antiviral drugs. It is also utilized in the research and development of new chemical entities and as a reagent in various organic synthesis reactions.

Is 3-Chloro-2(1H)-pyrazinone (CAS: 105985-17-9) safe?

3-Chloro-2(1H)-pyrazinone is generally considered safe when handled with proper precautions. Users should wear appropriate personal protective equipment, such as gloves and goggles, and avoid inhalation of dust or aerosols. Storage should be in a cool, dry place away from direct sunlight and other sources of heat and ignition.

How should 3-Chloro-2(1H)-pyrazinone (CAS: 105985-17-9) be stored?

3-Chloro-2(1H)-pyrazinone should be stored in a cool, dry place under a nitrogen atmosphere to prevent reaction with moisture and oxygen. It should be kept away from direct sunlight and sources of heat. Containers should be tightly sealed and stored in a well-ventilated, secure location to minimize exposure to air and light.