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Weight206.285 g/mol
FormulaC13H18O2
Hydrogen Acceptors1
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds4

ibuprofen (15687-27-1)

Motrin  ·  Rufen  ·  Nuprin

Score: #21 in Neuroscience , #127 in Biology , #131 in Chemistry
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Areas of Application

Safety

  • H302: Harmful if swallowed
    Warning Acute toxicity, oral - Category 4
  • H362: May cause harm to breast-fed children
    Reproductive toxicity, effects on or via lactation - Additional category
  • H373: Causes damage to organs through prolonged or repeated exposure
    Warning Specific target organ toxicity, repeated exposure - Category 2
  • H411: Toxic to aquatic life with long lasting effects
    Hazardous to the aquatic environment, long-term hazard - Category 2

Trends

Alternate Names

  • Motrin
  • Rufen
  • Nuprin
  • Brufen
  • Calcium Salt Ibuprofen
  • Aluminum Salt Ibuprofen
  • Sodium Salt Ibuprofen
  • Ibuprofen, (+-)-Isomer
  • Ibuprofen Zinc
  • IP 82
  • Ibuprofen, Copper (2+) Salt
  • Ibuprofen, (R)-Isomer
  • Potassium Salt Ibuprofen
  • IP82
  • Salprofen
  • Zinc Salt Ibuprofen
  • Ibuprofen, (S)-Isomer
  • Trauma-Dolgit Gel
  • IP-82
  • TraumaDolgit Gel
  • Ibuprofen I.V. Solution
  • Ibumetin
  • Magnesium Salt Ibuprofen
  • Ibuprofen-Zinc
  • Trauma Dolgit Gel
  • alpha-Methyl-4-(2-methylpropyl)benzeneacetic Acid
  • SMILES
    CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
  • InChIKey
    HEFNNWSXXWATRW-UHFFFAOYSA-N

Estimated Properties

Boiling Point 281.57 C EPA T.E.S.T.
Density 1.05 g/cm3 EPA T.E.S.T.
Flash Point 186.53 C EPA T.E.S.T.
Water Solubility 99.18 mg/L EPA T.E.S.T.

External Links

Synthesis

2-Phenylpropionic acid  +  1-Chloro-2-methylpropane (Friedel-Crafts alkylation)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of ibuprofen ›

Similar Compounds

2-(4-Methylphenyl)propanoic acid (938-94-3)
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41283-72-1 (41283-72-1)
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methyl 2-phenylpropanoate (31508-44-8)
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3900-93-4 (3900-93-4)
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