Acetylsalicylic Acid

• CAS: 50-78-2
• Catalog Number: ACM50782
• Category: Main Products
• Molecular Weight: 180.16
• Molecular Formula: C9H8O4
• Synonyms: Aceticyl
• IUPAC Name: 2-Acetyloxybenzoic acid
• Canonical SMILES: CC(=O)OC1=CC=CC=C1C(=O)O
• InChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
• InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N
• Boiling Point: 272.96 °C
• Melting Point: 134-136 °C(lit.)
• Flash Point: 250 °C
• Density: 1.35 g/cm³
• Appearance: Solid
• Storage: 2-8 °C
• Complexity: 212
• EC Number: 200-064-1
• Exact Mass: 180.04225873
• Hazard Statements: Xn:Harmful
• Monoisotopic Mass: 180.04225873
• Packing Group: III
• pKa: 3.5(at 25 °C)
• Refractive Index: 1.45
• Safety Description: S26-S36/37/39
• Stability: Stable. Keep dry. Incompatible with strong oxidizing agents, strong bases, strong acids, various other compounds such as iodides, iron salts, quinine salts, etc.
• Topological Polar Surface Area: 63.6 Ų
• UN Number: 2811
• WGK Germany: 1