Acetylpyrazine

• CAS: 22047-25-2
• Catalog Number: ACM22047252
• Category: Other Products
• Molecular Weight: 122.12
• Molecular Formula: C6H6N2O
• Synonyms: 2-Acetylpyrazine
• IUPAC Name: 1-Pyrazin-2-ylethanone
• Canonical SMILES: CC(=O)C1=NC=CN=C1
• InChI: InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3
• InChI Key: DBZAKQWXICEWNW-UHFFFAOYSA-N
• Boiling Point: 78-79 °C
• Melting Point: 76-78 °C(lit.)
• Flash Point: 78-79 °C
• Density: 1.1075 g/cm³
• Solubility: Sightly soluble in water, soluble in organic solvents
• Appearance: Solid
• Storage: Keep in dark place, sealed in dry, room temperature
• Complexity: 114
• Exact Mass: 122.048012819
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Monoisotopic Mass: 122.048012819
• Physical State: Crystals
• pKa: 0.30±0.10(Predicted)
• Refractive Index: 1.535
• Safety Description: S24/25
• Stability: Stable under normal temperatures and pressures.
• Storage Conditions: Dark and dry place,Room Temperature
• Topological Polar Surface Area: 42.8 Ų
• WGK Germany: 2