(1R,4S,5R)-3,3-Difluoro-1,4,5-trihydroxycyclohexanecarboxylic acid
[CAS# 486430-84-6]

Identification

• Name: (1R,4S,5R)-3,3-Difluoro-1,4,5-trihydroxycyclohexanecarboxylic acid
• Synonyms: (1R,4S,5R)-3,3-Difluoro-1,4,5-trihydroxycyclohexane-1-carboxylic acid
• Molecular Formula: C₇H₁₀F₂O₅
• Molecular Weight: 212.15
• CAS Registry Number: 486430-84-6
• SMILES: C1[C@H]([C@@H](C(C[C@]1(C(=O)O)O)(F)F)O)O
• InChI: 1S/C7H10F2O5/c8-7(9)2-6(14,5(12)13)1-3(10)4(7)11/h3-4,10-11,14H,1-2H2,(H,12,13)/t3-,4+,6-/m1/s1
• InChIKey: JTOMRSMMMDLWND-ALEPSDHESA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 405.5±45.0°C at 760 mmHg (Cal.)
• Flash point: 199.0±28.7°C (Cal.)
• Refractive index: 1.53 (Cal.)