(1S,2R)-3-[(1S)-2,2,2-Trifluoro-1-Hydroxyethyl]-3,5-Cyclohexadiene-1,2-Diol
[CAS# 499202-16-3]

Identification

• Name: (1S,2R)-3-[(1S)-2,2,2-Trifluoro-1-Hydroxyethyl]-3,5-Cyclohexadiene-1,2-Diol
• Synonyms: (1S,2R)-3-((S)-2,2,2-trifluoro-1-hydroxyethyl)cyclohexa-3,5-diene-1,2-diol
• Molecular Formula: C₈H₉F₃O₃
• Molecular Weight: 210.15
• CAS Registry Number: 499202-16-3
• SMILES: C1=C[C@@H]([C@@H](C(=C1)[C@@H](C(F)(F)F)O)O)O
• InChI: 1S/C8H9F3O3/c9-8(10,11)7(14)4-2-1-3-5(12)6(4)13/h1-3,5-7,12-14H/t5-,6+,7-/m0/s1
• InChIKey: SPDFZRSXBADNDT-XVMARJQXSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 331.9±42.0°C at 760 mmHg (Cal.)
• Flash point: 154.5±27.9°C (Cal.)
• Refractive index: 1.526 (Cal.)