(2R,3S)-1-Carboxy-4-Trifluoromethyl-2,3-Dihydroxycyclohexa-4,6-Diene
[CAS# 205985-94-0]

Identification

• Name: (2R,3S)-1-Carboxy-4-Trifluoromethyl-2,3-Dihydroxycyclohexa-4,6-Diene
• Synonyms: (5S,6R)-5,6-Dihydroxy-4-(Trifluoromethyl)-1-Cyclohexa-1,3-Dienecarboxylate; Zinc04262114
• Molecular Formula: C₈H₆F₃O₄
• Molecular Weight: 223.13
• CAS Registry Number: 205985-94-0
• SMILES: [C@@H]1(O)[C@H](O)C(=CC=C1C(F)(F)F)C([O-])=O
• InChI: 1S/C8H7F3O4/c9-8(10,11)4-2-1-3(7(14)15)5(12)6(4)13/h1-2,5-6,12-13H,(H,14,15)/p-1/t5-,6+/m1/s1
• InChIKey: YUOHBYLMNYOSKZ-RITPCOANSA-M

Properties

• Boiling point: 319.96°C at 760 mmHg (Cal.)
• Flash point: 147.307°C (Cal.)