5-Chloro-2(1H)-pyrimidinone

Basic Information

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CAS Number

54326-16-8

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

Density

1.55 g/cm3

Refractive Index

1.632

SMILES

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C1=C(C=NC(=O)N1)Cl

InChI

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

InChIKey

OCSYCDVQABSEPJ-UHFFFAOYSA-N

LogP

0.42330000000000007

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

AMY1675
OCSYCDVQABSEPJ-UHFFFAOYSA-N
2(1H)-PYRIMIDINONE,5-CHLORO-
5-chloropyrimid-2-one
FT-0769315
5-Chloro-1H-pyrimidin-2-one
2(1H)-Pyrimidinone, 5-chloro-
5-Chloro-2(1H)-pyrimidinone
A7898
5-Chloropyrimidin-2(1H)-one
FT-0603727
DS-10669
214290-50-3
DTXSID0068947
5-chloropyrimidin-2-ol
EINECS 259-106-2
SCHEMBL8616381
5-CHLORO-2-PYRIMIDINOL
S38KEL5AQR
AC-4605
5-chloro-2-hydroxypyrimidine, AldrichCPR
NS00033043
5-Chloro-2-hydroxypyrimidine
NY 3000
2-Pyrimidinol, 5-chloro- (9CI)
MFCD00129723
CS-W022366
54326-16-8
W-105643
5-Chloropyrimidin-2-one
5-Chloro-2-hydroxy-pyrimidine

MDL Number

MFCD00129723

Customs Code

2933599090

FAQ

What regulatory guidelines apply to 5-Chloro-2(1H)-pyrimidinone (CAS: 54326-16-8)?

5-Chloro-2(1H)-pyrimidinone (CAS: 54326-16-8) falls under the regulatory frameworks of GHS (Globally Harmonized System of Classification and Labelling of Chemicals), REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) in the EU, and EPA (Environmental Protection Agency) in the USA. It is classified as a potentially hazardous substance due to its chlorine content, and requires proper labeling, storage, and handling to comply with these regulations.

Are there alternatives to 5-Chloro-2(1H)-pyrimidinone (CAS: 54326-16-8) in synthesis?

Alternatives to 5-Chloro-2(1H)-pyrimidinone (CAS: 54326-16-8) include other pyrimidinones with different substituents, such as 6-chloro-2(1H)-pyrimidinone, or other heterocycles like thiazoles and oxazoles. These alternatives can offer similar functional group properties but with different reactivity profiles, providing flexibility in synthetic routes.

What is the market or research trend for 5-Chloro-2(1H)-pyrimidinone (CAS: 54326-16-8)?

The market for 5-Chloro-2(1H)-pyrimidinone (CAS: 54326-16-8) is driven by its use in pharmaceuticals, particularly in antiviral and antifungal drug development. Research trends indicate a growing interest in its use as a building block for more complex organic molecules. Additionally, there is a trend towards sustainable synthesis methodologies and eco-friendly waste management practices in the chemical industry.

How should waste containing 5-Chloro-2(1H)-pyrimidinone (CAS: 54326-16-8) be handled?

Waste containing 5-Chloro-2(1H)-pyrimidinone (CAS: 54326-16-8) should be collected in designated containers and stored properly to prevent environmental contamination. Incineration is a common disposal method, but it must be conducted under controlled conditions to avoid hazardous emissions. Alternatively, professional waste disposal services can handle the waste safely and in compliance with environmental regulations. Always consult local regulations and guidelines for specific disposal procedures.