3,5-Dibromo-3'-Isopropylthyronine
[CAS# 13724-85-1]

Identification

• Name: 3,5-Dibromo-3'-Isopropylthyronine
• Synonyms: (2S)-2-Amino-3-[3,5-Dibromo-4-(4-Hydroxy-3-Isopropyl-Phenoxy)Phenyl]Propanoic Acid; (2S)-2-Amino-3-[3,5-Dibromo-4-(4-Hydroxy-3-Isopropylphenoxy)Phenyl]Propanoic Acid; (2S)-2-Amino-3-[3,5-Dibromo-4-(4-Hydroxy-3-Isopropyl-Phenoxy)Phenyl]Propionic Acid
• Molecular Formula: C₁₈H₁₉Br₂NO₄
• Molecular Weight: 473.16
• CAS Registry Number: 13724-85-1
• SMILES: [C@H](C(=O)O)(N)CC2=CC(=C(OC1=CC(=C(O)C=C1)C(C)C)C(=C2)Br)Br
• InChI: 1S/C18H19Br2NO4/c1-9(2)12-8-11(3-4-16(12)22)25-17-13(19)5-10(6-14(17)20)7-15(21)18(23)24/h3-6,8-9,15,22H,7,21H2,1-2H3,(H,23,24)/t15-/m0/s1
• InChIKey: QHTXRRJVXYEVLD-HNNXBMFYSA-N

Properties

• Density: 1.638g/cm³ (Cal.)
• Boiling point: 536.995°C at 760 mmHg (Cal.)
• Flash point: 278.565°C (Cal.)