2-[(2R,4R)-7-Chloro-6-Fluoro-2-Methylchroman-4-Yl]Ethaneperoxoic Acid
[CAS# 111477-47-5]

Identification

• Name: 2-[(2R,4R)-7-Chloro-6-Fluoro-2-Methylchroman-4-Yl]Ethaneperoxoic Acid
• Synonyms: 2-[(2R,4R)-7-Chloro-6-Fluoro-2-Methyl-Chroman-4-Yl]Peroxyacetic Acid; 2-[(2R,4R)-7-Chloro-6-Fluoro-2-Methyl-4-Chromanyl]Peroxyacetic Acid; 2-[(2R,4R)-7-Chloro-6-Fluoro-2-Methyl-Chroman-4-Yl]Peracetic Acid
• Molecular Formula: C₁₂H₁₂ClFO₄
• Molecular Weight: 274.68
• CAS Registry Number: 111477-47-5
• SMILES: [C@H]2(C[C@@H](C1=CC(=C(C=C1O2)Cl)F)CC(=O)OO)C
• InChI: 1S/C12H12ClFO4/c1-6-2-7(3-12(15)18-16)8-4-10(14)9(13)5-11(8)17-6/h4-7,16H,2-3H2,1H3/t6-,7-/m1/s1
• InChIKey: LGSGSCBGZSNDNA-RNFRBKRXSA-N

Properties

• Density: 1.36g/cm³ (Cal.)
• Boiling point: 374.087°C at 760 mmHg (Cal.)
• Flash point: 180.042°C (Cal.)