Description

2-Chloro-6-fluoroquinazolin-4(3H)-one (CAS No. 769158-12-5) is a high-purity heterocyclic organic compound with the molecular formula C₈H₄ClFN₂O. This quinazolinone derivative is a versatile building block in pharmaceutical and agrochemical research, particularly in the synthesis of bioactive molecules and drug intermediates. Its unique structural features, including the chloro and fluoro substituents, make it valuable for medicinal chemistry applications such as kinase inhibitor development. The compound is supplied as a fine white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for research use. Store in a cool, dry place at 2-8°C under inert atmosphere to maintain stability. Available in research quantities from 100mg to 10g with optional Certificate of Analysis.

Properties

• CAS Number: 769158-12-5
• Complexity: 269
• IUPAC Name: 2-chloro-6-fluoro-3H-quinazolin-4-one
• InChI: InChI=1S/C8H4ClFN2O/c9-8-11-6-2-1-4(10)3-5(6)7(13)12-8/h1-3H,(H,11,12,13)
• InChI Key: CBHYEOLZQCLMSY-UHFFFAOYSA-N
• Exact Mass: 197.9996186
• Molecular Formula: C8H4ClFN2O
• Molecular Weight: 198.58
• SMILES: C1=CC2=C(C=C1F)C(=O)NC(=N2)Cl
• Topological: 41.5
• Monoisotopic Mass: 197.9996186
• Synonyms: 2-chloro-6-fluoroquinazolin-4(3H)-one, 769158-12-5, 2-chloro-6-fluoro-3H-quinazolin-4-one, 2-chloro-6-fluoroquinazolin-4-ol, MFCD11520685, 2-chloro-6-fluoroquinazolin- 4(3H)-one, 2-CHLORO-6-FLUORO-1H-QUINAZOLIN-4-ONE, 2-CHLORO-6-FLUORO-4(3H)-QUINAZOLINONE, SCHEMBL578429, SCHEMBL578430, SCHEMBL27823530, DTXSID60586537, AKOS006324513, 2-Chloro-6-fluoroquinazolin-4(1H)-one, AS-30793, DB-075209, CS-0094664, EN300-645264

This quinazolinone derivative serves as a key intermediate in the synthesis of tyrosine kinase inhibitors and other pharmacologically active compounds. Researchers utilize it for developing anticancer and antimicrobial agents due to its privileged heterocyclic scaffold. The compound’s halogen substituents enable diverse functionalization through cross-coupling reactions. It has shown promise in structure-activity relationship studies for ATP-competitive inhibitors. Proper handling requires laboratory precautions including gloves, goggles, and fume hood use.

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.