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4,6-Dichloro-2-(methylsulfanyl)-5-pyrimidinecarbonitrile(CAS: 33097-13-1)

4,6-Dichloro-2-(methylsulfanyl)-5-pyrimidinecarbonitrile
CAS Number

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Basic Information

Molecular Formula
C6H3Cl2N3S
Molecular Weight
220.08 g/mol

Physical Properties

Melting Point
106-110 °C
Boiling Point
367.3℃ at 760 mmHg
Density
1.58
Flash Point
175.9℃

Chemical Identifiers

SMILES
CSC1=NC(=C(C(=N1)Cl)C#N)Cl
InChIKey
GLOOTGZVAHKTJS-UHFFFAOYSA-N

Database References

MDL Number
MFCD00474490

FAQ

4,6-Dichloro-2-(methylsulfanyl)-5-pyrimidinecarbonitrile has a crystalline form. Its molecular weight is approximately 222.02 g/mol. This compound is slightly soluble in water but more soluble in organic solvents like methanol and ethanol. It shows moderate reactivity towards nucleophiles and electrophiles. It is a solid at room temperature with a melting point of around 210-212°C.
4,6-Dichloro-2-(methylsulfanyl)-5-pyrimidinecarbonitrile is commonly synthesized via a multi-step process involving the reaction of 5-chloropyrimidine with methyl thiocyanate followed by a chlorination step. The synthesis typically yields a high purity product with good selectivity and yield. This process often involves the use of Lewis acids as catalysts.
4,6-Dichloro-2-(methylsulfanyl)-5-pyrimidinecarbonitrile is primarily used in the pharmaceutical industry for the synthesis of certain intermediates and active pharmaceutical ingredients. It also finds application in the polymer industry as a stabilizer. Additionally, it is used in the development of sensors and semiconductors due to its unique chemical properties.
When handling 4,6-Dichloro-2-(methylsulfanyl)-5-pyrimidinecarbonitrile, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a fume hood to avoid inhalation of vapors. Spills should be cleaned up with caution, using appropriate absorbents. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage conditions. This compound is corrosive and may irritate skin and eyes, so proper precautions are necessary.

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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