Ibuprofen

• Catalog Number: ACM15687271
• Product Name: Ibuprofen
• CAS: 15687-27-1
• Category: Heterocyclic Organic Compound
• Synonyms: 2-(4-Isobutylphenyl)propionic Acid
• IUPAC Name: 2-[4-(2-Methylpropyl)phenyl]propanoic acid
• Molecular Weight: 206.28
• Molecular Formula: C13H18O2
• Canonical SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
• InChI: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
• InChI Key: HEFNNWSXXWATRW-UHFFFAOYSA-N
• Boiling Point: 157 °C/ 4 mmHg
• Melting Point: 77-78 °C
• Flash Point: 9 °C
• Density: 1.0364 g/cm³
• Solubility: Insoluble in water
• Appearance: White to off-white crystalline powder
• Storage: 2-8 °C
• Complexity: 203
• Exact Mass: 206.130679813
• Hazard Statements: Xn,N,T,F
• Monoisotopic Mass: 206.130679813
• Refractive Index: 1.5500
• Safety Description: 36-61-36/37-45-16-7
• Supplemental Hazard Statements: H315-H319-H335-H302-H225-H301+H311+H331-H370
• Symbol: GHS07,GHS02,GHS06,GHS08
• Topological Polar Surface Area: 37.3 Ų