4-Chloropyrimidine-2-carbonitrile(CAS: 898044-48-9)

CAS Number
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Basic Information
Molecular Formula
C5H2ClN3
Molecular Weight
139.54 g/mol
Physical Properties
Boiling Point
292.0±32.0℃ (760 Torr)
Density
1.43±0.1 g/cm3 (20 ºC 760 Torr)
Flash Point
130.4±25.1℃
Chemical Identifiers
SMILES
C1=CN=C(N=C1Cl)C#N
InChIKey
AKONCVZBQYODEU-UHFFFAOYSA-N
Database References
MDL Number
MFCD09607718
FAQ
4-Chloropyrimidine-2-carbonitrile (CAS: 898044-48-9) is a white to off-white crystalline solid with a molecular weight of approximately 156.01 g/mol. It has a melting point around 106-108°C and is slightly soluble in water. This compound is known for its reactivity, particularly towards nucleophiles and electrophiles, making it useful in various synthetic transformations. It is also acidic and can undergo hydrolysis under certain conditions.
4-Chloropyrimidine-2-carbonitrile (CAS: 898044-48-9) is commonly synthesized by the reaction of chloroacetonitrile with urea. This process involves heating a mixture of chloroacetonitrile and urea in the presence of a basic catalyst such as sodium hydroxide. The reaction typically proceeds with high selectivity and good yield, making it a reliable method for large-scale production.
4-Chloropyrimidine-2-carbonitrile (CAS: 898044-48-9) is primarily used in the pharmaceutical and chemical industries. It serves as a precursor in the synthesis of various drugs and intermediate chemicals. Its use in polymers, sensors, and semiconductors is also being explored, though on a smaller scale compared to pharmaceutical applications.
What precautions should be taken when handling 4-Chloropyrimidine-2-carbonitrile (CAS: 898044-48-9)?
When handling 4-Chloropyrimidine-2-carbonitrile (CAS: 898044-48-9), it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated environment or a fume hood to minimize exposure. Spills should be cleaned up carefully using appropriate absorbents, and the area should be thoroughly rinsed. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
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