Description

2-Chloro-5-(trifluoromethyl)pyrazine (CAS No. 799557-87-2) is a high-purity heterocyclic compound with the molecular formula C₅H₂ClF₃N₂. This specialized chemical features a pyrazine core substituted with a chloro group at the 2-position and a trifluoromethyl group at the 5-position, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. With a molecular weight of 182.53 g/mol, it is supplied as a clear to pale yellow liquid or low-melting solid, characterized by excellent stability under recommended storage conditions (2-8°C under inert atmosphere). Our product undergoes rigorous QC testing including GC/HPLC analysis to ensure ≥98% purity, making it ideal for demanding research applications. Available in convenient packaging from 100mg to 10kg scale with custom synthesis options.

Properties

• CAS Number: 799557-87-2
• Complexity: 138
• IUPAC Name: 2-chloro-5-(trifluoromethyl)pyrazine
• InChI: InChI=1S/C5H2ClF3N2/c6-4-2-10-3(1-11-4)5(7,8)9/h1-2H
• InChI Key: AIEGIFIEQXZBCP-UHFFFAOYSA-N
• Exact Mass: 181.9858603
• Molecular Formula: C5H2ClF3N2
• Molecular Weight: 182.53
• SMILES: C1=C(N=CC(=N1)Cl)C(F)(F)F
• Topological: 25.8
• Monoisotopic Mass: 181.9858603
• Synonyms: 2-CHLORO-5-(TRIFLUOROMETHYL)PYRAZINE, 799557-87-2, DTXSID90597156, DTXCID10547916, MFCD13189478, 5-Chloro-2-trifluoromethylpyrazine, Pyrazine, 2-chloro-5-(trifluoromethyl)-, SCHEMBL608221, 2-Chloro-5-trifluoromethylpyrazine, 2-chloro-5-trifluoromethyl-pyrazine, BBL103873, GEO-04126, STL557683, AKOS005259834, AB68489, LL-0741, SY108008, DB-355776, 2-Chloro-5-(trifluoromethyl)pyrazine, 97%, CS-0059251, EN300-98815, F16099, Z1201627064

Application

This compound serves as a key building block in medicinal chemistry, particularly for the development of trifluoromethyl-containing pharmaceuticals due to its unique electronic properties. Researchers utilize it in Suzuki coupling reactions to create novel pyrazine derivatives for drug discovery programs. The trifluoromethyl group enhances metabolic stability and bioavailability, making it valuable for CNS and antimicrobial drug candidates. It’s also employed in materials science for creating fluorinated electronic materials.

Safety and Hazards

GHS Hazard Statements

• H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P316, P321, P330, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (97.4%)

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