Propyl Docetrizoate
[CAS# 5579-08-8]

Identification

• Name: Propyl Docetrizoate
• Synonyms: Propyl 3-(Diacetylamino)-2,4,6-Triiodo-Benzoate; 3-(Diacetylamino)-2,4,6-Triiodobenzoic Acid Propyl Ester; 3-(Diacetylamino)-2,4,6-Triiodo-Benzoic Acid Propyl Ester
• Molecular Formula: C₁₄H₁₄I₃NO₄
• Molecular Weight: 640.98
• CAS Registry Number: 5579-08-8
• SMILES: C1=C(C(=C(C(=C1I)N(C(C)=O)C(C)=O)I)C(OCCC)=O)I
• InChI: 1S/C14H14I3NO4/c1-4-5-22-14(21)11-9(15)6-10(16)13(12(11)17)18(7(2)19)8(3)20/h6H,4-5H2,1-3H3
• InChIKey: DEVLRUOLAOLLCZ-UHFFFAOYSA-N

Properties

• Density: 2.197g/cm³ (Cal.)
• Boiling point: 625.87°C at 760 mmHg (Cal.)
• Flash point: 332.314°C (Cal.)