1-Iodohexestrol
[CAS# 55508-15-1]

Identification

• Name: 1-Iodohexestrol
• Synonyms: 4-[(1S,2R)-1-Ethyl-2-(4-Hydroxy-3-Iodo-Phenyl)Butyl]-2-Iodo-Phenol; 4-[(1S,2R)-1-Ethyl-2-(4-Hydroxy-3-Iodophenyl)Butyl]-2-Iodophenol; 4-[(3S,4R)-4-(4-Hydroxy-3-Iodo-Phenyl)Hexan-3-Yl]-2-Iodo-Phenol
• Molecular Formula: C₁₈H₂₀I₂O₂
• Molecular Weight: 522.16
• CAS Registry Number: 55508-15-1
• SMILES: [C@H]([C@H](C1=CC=C(O)C(=C1)I)CC)(C2=CC=C(O)C(=C2)I)CC
• InChI: 1S/C18H20I2O2/c1-3-13(11-5-7-17(21)15(19)9-11)14(4-2)12-6-8-18(22)16(20)10-12/h5-10,13-14,21-22H,3-4H2,1-2H3/t13-,14+
• InChIKey: JHLLTEJRPPJGGQ-OKILXGFUSA-N

Properties

• Density: 1.791g/cm³ (Cal.)
• Boiling point: 433.966°C at 760 mmHg (Cal.)
• Flash point: 216.255°C (Cal.)