2-Hydroxy-3-Iodo-2,4,6-Cycloheptatrien-1-One p-Nitrobenzoate
[CAS# 2961-87-7]

Identification

• Name: 2-Hydroxy-3-Iodo-2,4,6-Cycloheptatrien-1-One p-Nitrobenzoate
• Synonyms: 4-Nitrobenzoic Acid (2-Iodo-7-Oxo-1-Cyclohepta-1,3,5-Trienyl) Ester; 4-Nitrobenzoic Acid (2-Iodo-7-Keto-1-Cyclohepta-1,3,5-Trienyl) Ester; Brn 2001865
• Molecular Formula: C₁₄H₈INO₅
• Molecular Weight: 397.13
• CAS Registry Number: 2961-87-7
• SMILES: C2=C(C(OC1=C(I)C=CC=CC1=O)=O)C=CC(=C2)[N+]([O-])=O
• InChI: 1S/C14H8INO5/c15-11-3-1-2-4-12(17)13(11)21-14(18)9-5-7-10(8-6-9)16(19)20/h1-8H
• InChIKey: IDYYUTZSVVKPAW-UHFFFAOYSA-N

Properties

• Density: 1.855g/cm³ (Cal.)
• Boiling point: 490.035°C at 760 mmHg (Cal.)
• Flash point: 250.164°C (Cal.)