5-Bromo-4(3H)-pyrimidinone

Basic Information

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CAS Number

19808-30-1

Molecular Formula

C4H3BrN2O

Molecular Weight

174.98 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

Melting Point

198-200 ºC

Boiling Point

241 °C at 760 mmHg

Density

Flash Point

99.5 °C

Refractive Index

1.678

SMILES

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

InChI

InChI=1S/C4H3BrN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)

InChIKey

CLJIGLPOBRSBNU-UHFFFAOYSA-N

LogP

0.9446999999999999

Topological Polar Surface Area

46.010000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

173

Synonyms & References

English

AKOS006333621
GS-6506
5-Bromo-4-hydroxypyrimidine
4(3H)-Pyrimidinone, 5-bromo-
AKOS012320886
19808-30-1
1877691-68-3
5-bromo-1H-pyrimidin-6-one
EINECS 243-334-4
SY031524
5-bromo-4-pyrimidone
FS-2736
5-Bromo-4(1H)-pyrimidinone
MFCD09701451
AC-907/30002009
5-bromopyrimidin-4(3H)-one
BCP00937
DTXSID0066533
5-bromo-3,4-dihydropyrimidin-4-one
5-bromopyrimidin-4-ol
5-Bromopyrimidin-4(1H)-one
EN300-67371
CS-W019838
5-bromo-3H-pyrimidin-4-one
5-Bromo-4(3H)-pyrimidone
AKOS028109329
A15352
5-Bromo-1H-pyrimidin-4-one
5-Bromo-4(3H)-pyrimidinone
AM20090138
W-206461

MDL Number

MFCD00223740

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 5-Bromo-4(3H)-pyrimidinone (CAS: 19808-30-1)?

5-Bromo-4(3H)-pyrimidinone is a crystalline solid with a molecular weight of 235.03 g/mol. It is slightly soluble in water and ethanol. The compound exhibits moderate reactivity, particularly towards nucleophiles and reducing agents. It is stable under normal storage conditions but should be protected from moisture and light.

How is 5-Bromo-4(3H)-pyrimidinone (CAS: 19808-30-1) typically synthesized?

5-Bromo-4(3H)-pyrimidinone is synthesized via bromination of 4(3H)-pyrimidinone. Common methods include the use of N-bromosuccinimide (NBS) in the presence of a radical initiator. The reaction is typically carried out in dichloromethane (DCM) or other suitable organic solvents, providing high selectivity and yield.

What industries use 5-Bromo-4(3H)-pyrimidinone (CAS: 19808-30-1)?

5-Bromo-4(3H)-pyrimidinone is primarily used in the pharmaceutical industry for the synthesis of drug intermediates. It also finds applications in the polymer industry for the development of functional polymers, in the semiconductor industry for photoresists, and in the sensor industry for the fabrication of gas sensors.

What precautions should be taken when handling 5-Bromo-4(3H)-pyrimidinone (CAS: 19808-30-1)?

When handling 5-Bromo-4(3H)-pyrimidinone, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. This compound should be handled in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials, and the area should be flushed with water. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.