4-Bromopyrimidine

Basic Information

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CAS Number

31462-56-3

Molecular Formula

C4H3BrN2

Molecular Weight

158.99 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

201.4℃ at 760 mmHg

SMILES

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C1=CN=CN=C1Br

InChI

InChI=1S/C4H3BrN2/c5-4-1-2-6-3-7-4/h1-3H

InChIKey

XDADSGBUZWZQQQ-UHFFFAOYSA-N

LogP

1.2391

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

57.7

Synonyms & References

English

4-Bromopyrimidine
PYRIMIDINE, 4-BROMO-
AKOS007929977
CS-0040901
W-202291
FT-0648535
AM85717
EN300-69571
AC-23086
4-bromo-pyrimidine
Pyrimidine, 4-bromo- (8CI,9CI)
Pyrimidine,4-bromo-
DTXSID70508927
31462-56-3
SCHEMBL457415
PB10690
XDADSGBUZWZQQQ-UHFFFAOYSA-N
4-BroMo-pyriMidine
Pyrimidine, 4-bromo-(8CI,9CI)
4-BROMO-1,3-DIAZINE
4-Bromopyrimidine Hbr
4-Brom-pyrimidin
4-Brompyrimidine
6-Brom-pyrimidin
PYRIMIDINE,4-BROMO

MDL Number

MFCD09749817

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 4-Bromopyrimidine (CAS: 31462-56-3)?

4-Bromopyrimidine (CAS: 31462-56-3) is a crystalline compound with a molecular weight of approximately 167.01 g/mol. It has a melting point of 140-142°C and is slightly soluble in water. It exhibits basic properties and moderate reactivity with nucleophiles. The compound is prone to hydrolysis and can undergo electrophilic aromatic substitution reactions.

How is 4-Bromopyrimidine (CAS: 31462-56-3) typically synthesized?

4-Bromopyrimidine (CAS: 31462-56-3) is commonly synthesized by bromination of pyrimidine. The process involves treating pyrimidine with bromine in the presence of a suitable solvent such as acetic acid, often with a phase transfer catalyst. The yield is typically around 80%, and the reaction is selective for bromination at the desired position.

What industries use 4-Bromopyrimidine (CAS: 31462-56-3)?

4-Bromopyrimidine (CAS: 31462-56-3) is primarily used in the pharmaceutical industry for the synthesis of various drugs. It also finds applications in the polymer industry for the development of new materials, and in sensor technology for detecting specific chemical species.

What precautions should be taken when handling 4-Bromopyrimidine (CAS: 31462-56-3)?

When handling 4-Bromopyrimidine (CAS: 31462-56-3), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and lab coat. The substance should be used in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbents, and the area should be flushed with water. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.