(1S,2S)-3-Bromo-3,5-Cyclohexadiene-1,2-Diol
[CAS# 130792-45-9]

Identification

• Name: (1S,2S)-3-Bromo-3,5-Cyclohexadiene-1,2-Diol
• Synonyms: (1S,2S)-3-Bromocyclohexa-3,5-diene-1,2-diol; 489492_ALDRICH
• Molecular Formula: C₆H₇BrO₂
• Molecular Weight: 191.02
• CAS Registry Number: 130792-45-9
• SMILES: Br\C1=C\C=C/[C@H](O)[C@@H]1O
• InChI: 1S/C6H7BrO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H/t5-,6+/m0/s1
• InChIKey: KLPGXZKAVBGFGF-NTSWFWBYSA-N

Properties

• Density: 1.922g/cm³ (Cal.)
• Boiling point: 302.342°C at 760 mmHg (Cal.)
• Flash point: 136.652°C (Cal.)
• Refractive index: 1.687 (Cal.)

References

• (1): Fabrizio Fabris, Jonathan Collins, Bradford Sullivan, Hannes Leisch and Tomas Hudlicky. Investigation of steric and functionality limits in the enzymatic dihydroxylation of benzoate esters. Versatile intermediates for the synthesis of pseudo-sugars, aminocyclitols, and bicyclic ring systems, Org. Biomol. Chem., 2009, 7, 2619.