(1S,2S)-3-Iodo-3,5-Cyclohexadiene-1,2-Diol
[CAS# 138769-92-3]

Identification

• Name: (1S,2S)-3-Iodo-3,5-Cyclohexadiene-1,2-Diol
• Synonyms: (+)-CIS-2(S),3(S)-2,3-DIHYDROXY-2,3-DIHYDROIODOBENZENE
• Molecular Formula: C₆H₇IO₂
• Molecular Weight: 238.02
• CAS Registry Number: 138769-92-3
• SMILES: C1=C[C@@H]([C@@H](C(=C1)I)O)O
• InChI: 1S/C6H7IO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H/t5-,6+/m0/s1
• InChIKey: PGCYZXIWKRRLCW-NTSWFWBYSA-N

Properties

• Density: 2.1±0.1g/cm³ (Cal.)
• Boiling point: 319.0±42.0°C at 760 mmHg (Cal.)
• Flash point: 146.7±27.9°C (Cal.)
• Refractive index: 1.699 (Cal.)