5-Bromo-2-pyrimidinecarboxylic acid

Basic Information

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CAS Number

37131-87-6

Molecular Formula

C5H3BrN2O2

Molecular Weight

203 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

193-198℃

Boiling Point

419.7℃ at 760 mmHg

Density

1.94

Water Solubility

Slightly soluble in water.

Flash Point

207.6℃

Refractive Index

1.627

SMILES

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

InChI

InChI=1S/C5H3BrN2O2/c6-3-1-7-4(5(9)10)8-2-3/h1-2H,(H,9,10)

InChIKey

XGPTXUYKEDPXCO-UHFFFAOYSA-N

LogP

0.9372999999999999

Topological Polar Surface Area

63.08 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

134

Synonyms & References

English

CS-W008708
SB19921
MFCD00496793
AKOS002304150
5-Bromopyrimidine-2-carboxylicacid
5-bromopyrimidine-2-caboxylic acid
EN300-132619
XGPTXUYKEDPXCO-UHFFFAOYSA-N
SY003477
5-bromo-2-pyrimidine carboxylic acid
5-bromopyrimidine-2-carboxylic acid, AldrichCPR
AC-191
DTXSID10586108
BCP26478
AM803797
5-Bromo-pyrimidine-2-carboxylic acid
FT-0649887
PB33902
5-BROMO-2-PYRIMIDINECARBOXYLIC ACID
SCHEMBL361106
A6381
5-Bromopyrimidine-2-carboxylic acid
2-Pyrimidinecarboxylic acid, 5-bromo-
37131-87-6
W-202535
TS-02882
PubChem16922
KSC222C2T
EBD47254
SBB065695
DT1607

MDL Number

MFCD00496793

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 5-Bromo-2-pyrimidinecarboxylic acid (CAS: 37131-87-6)?

5-Bromo-2-pyrimidinecarboxylic acid is a white crystalline powder with a molecular weight of 228.04 g/mol. It is sparingly soluble in water and ethanol. This compound exhibits moderate acidity and can undergo nucleophilic substitution reactions. It is also susceptible to hydrolysis under basic conditions.

How is 5-Bromo-2-pyrimidinecarboxylic acid (CAS: 37131-87-6) typically synthesized?

5-Bromo-2-pyrimidinecarboxylic acid is typically synthesized by bromination of 2-pyrimidinecarboxylic acid. The reaction involves the use of bromine in the presence of a Lewis acid, such as aluminum bromide, to provide a bromo derivative. This method ensures high yield and selectivity.

What industries use 5-Bromo-2-pyrimidinecarboxylic acid (CAS: 37131-87-6)?

5-Bromo-2-pyrimidinecarboxylic acid finds applications in the pharmaceutical industry for the synthesis of bioactive compounds, particularly in developing antiviral and anticancer drugs. It is also used in the polymer industry for the modification of polymers and in the semiconductor industry for the production of photolithographic resists.

What precautions should be taken when handling 5-Bromo-2-pyrimidinecarboxylic acid (CAS: 37131-87-6)?

When handling 5-Bromo-2-pyrimidinecarboxylic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately with appropriate absorbent materials. For detailed safety information, refer to the Safety Data Sheet (SDS).