CAS 1086393-94-3

2-(Chloromethyl)-5-pyrimidinecarbonitrile

Description:

2-(Chloromethyl)-5-pyrimidinecarbonitrile is a chemical compound characterized by its pyrimidine ring structure, which is a six-membered aromatic heterocycle containing two nitrogen atoms at positions 1 and 3. The presence of a chloromethyl group at the 2-position and a cyano group at the 5-position contributes to its reactivity and potential applications in organic synthesis. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar organic solvents. Its functional groups suggest that it could participate in nucleophilic substitution reactions due to the electrophilic nature of the chloromethyl group, while the cyano group can serve as a versatile handle for further chemical modifications. The compound's properties, such as melting point, boiling point, and specific reactivity, can vary based on the purity and specific conditions under which it is handled. As with many pyrimidine derivatives, it may have applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. Proper safety precautions should be taken when handling this compound due to its potential toxicity and reactivity.

Formula: C₆H₄ClN₃

InChI: InChI=1S/C6H4ClN3/c7-1-6-9-3-5(2-8)4-10-6/h3-4H,1H2

InChI key: InChIKey=HLEGWVUZPQOQQO-UHFFFAOYSA-N

SMILES: C(#N)C=1C=NC(CCl)=NC1

Synonyms:

• 5-Pyrimidinecarbonitrile, 2-(chloromethyl)-
• 2-(Chloromethyl)-5-pyrimidinecarbonitrile
• 2-(Chloromethyl)pyrimidine-5-carbonitrile