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5-Bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid(CAS: 50593-92-5)

5-Bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid
CAS Number

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Basic Information

Molecular Formula
C6H5BrN2O2S
Molecular Weight
249.09 g/mol
Physical State
Pale-yellow to Yellow-brown Solid

Physical Properties

Melting Point
177°C(lit.)
Boiling Point
414.5°C at 760 mmHg
Density
1.91
Flash Point
204.5℃

Chemical Identifiers

SMILES
CSC1=NC=C(C(=N1)C(=O)O)Br
InChIKey
YJEWVVYJOJJLBP-UHFFFAOYSA-N

Database References

MDL Number
MFCD00238866
Beilstein Registry Number
152578

FAQ

5-Bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid is a white crystalline solid with a molecular weight of approximately 234.04 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. This compound is known for its low reactivity in aqueous solutions but can be quite reactive in organic solvents. It displays significant stability under normal storage conditions but requires careful handling to prevent unwanted side reactions.
5-Bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid is typically synthesized through the bromination of 2-(methylthio)-4-pyrimidinecarboxylic acid. This process often involves the use of bromine in an appropriate solvent, such as acetic anhydride, under anhydrous conditions. The reaction is highly selective and yields the desired product with good efficiency. Post-synthesis purification is usually achieved by recrystallization from an appropriate solvent.
5-Bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid is used in a variety of industries. In the pharmaceutical industry, it serves as a precursor for the synthesis of biologically active compounds. It is also utilized in the production of organic semiconductors, where its unique electronic properties are leveraged. Additionally, it has applications in the development of sensors due to its reactivity and specificity in certain chemical environments.
When handling 5-Bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and heat sources. Laboratory handling should be conducted in a well-ventilated area or a fume hood due to its potential volatility. In case of a spill, it is advised to clean up the area using appropriate absorbent materials and consult the Safety Data Sheet (SDS) for further guidance.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

Contact Person

Chen Xiao

Email

easichem@126.com