3-(4-Chlorophenyl)-2-piperazinone

Basic Information

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CAS Number

86147-28-6

Molecular Formula

C10H11ClN2O

Molecular Weight

210.66 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

Basic Physical Properties

SMILES

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O=C1NCCNC1C2=CC=C(Cl)C=C2

InChI

InChI=1S/C10H11ClN2O/c11-8-3-1-7(2-4-8)9-10(14)13-6-5-12-9/h1-4,9,12H,5-6H2,(H,13,14)

InChIKey

FGSVIJLVGJOUGJ-UHFFFAOYSA-N

LogP

1.1004999999999998

Topological Polar Surface Area

41.13 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

214

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

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

3-(4-chlorophenyl)-2-Piperazinone
3-(4-chlorophenyl)piperazin-2-one
3-(p-chlorophenyl)-2-Piperazinone
3-(4-CHLORO-PHENYL)-PIPERAZIN-2-ONE
FGSVIJLVGJOUGJ-UHFFFAOYSA-N
BCP26298
3-(4-Chlorophenyl)-2-oxopiperazine
AB37464
ST24022569
W8849

MDL Number

MFCD07373585

Customs Code

2933599090

FAQ

What regulatory guidelines apply to 3-(4-Chlorophenyl)-2-piperazinone (CAS: 86147-28-6)?

3-(4-Chlorophenyl)-2-piperazinone (CAS: 86147-28-6) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). It is classified as a hazardous substance due to its potential health effects. Compliance with REACH regulations and FDA/EPA guidelines is also required for its production, distribution, and disposal in the EU, USA, and other regions. Proper hazard communication, including safety data sheets (SDS) and labels, must be provided to ensure safe handling and use.

Are there alternatives to 3-(4-Chlorophenyl)-2-piperazinone (CAS: 86147-28-6) in synthesis?

Several alternatives to 3-(4-Chlorophenyl)-2-piperazinone (CAS: 86147-28-6) exist in synthesis, including 4-chloro-2-piperazinone and 3-(phenyl)-2-piperazinone. These alternatives can serve as precursors or reactants in similar chemical processes. However, the choice of alternative depends on the specific reaction conditions and desired product characteristics. Commonly used reagents like piperazine and chlorophenol can also be considered as substitutes.

What is the market or research trend for 3-(4-Chlorophenyl)-2-piperazinone (CAS: 86147-28-6)?

The market for 3-(4-Chlorophenyl)-2-piperazinone (CAS: 86147-28-6) is influenced by its applications in pharmaceuticals and organic synthesis. Recent research trends focus on its use as an intermediate in drug development, particularly in the synthesis of non-steroidal anti-inflammatory drugs (NSAIDs) and other medicinal compounds. Market demand is expected to grow with increasing interest in novel chemical structures and potential therapeutic applications. However, regulatory compliance and environmental concerns remain key factors in market dynamics.

How should waste containing 3-(4-Chlorophenyl)-2-piperazinone (CAS: 86147-28-6) be handled?

Waste containing 3-(4-Chlorophenyl)-2-piperazinone (CAS: 86147-28-6) should be collected in appropriate containers and stored under safe conditions to prevent environmental contamination. Incineration is a common disposal method, but it must be conducted in compliance with local regulations. For hazardous waste, professional waste disposal services should be utilized. Environmental protection measures include ensuring that waste is handled according to GHS guidelines and that all disposal activities are documented to comply with REACH, FDA, and EPA regulations.