3-(P-Chlorophenyl)-5,7-Dihydroxy-4-Oxo-4H-1-Benzopyran-2-Carboxylic Acid Ethyl Ester
[CAS# 13004-40-5]

Identification

• Name: 3-(P-Chlorophenyl)-5,7-Dihydroxy-4-Oxo-4H-1-Benzopyran-2-Carboxylic Acid Ethyl Ester
• Synonyms: Ethyl 3-(4-Chlorophenyl)-5,7-Dihydroxy-4-Oxo-Chromene-2-Carboxylate; 3-(4-Chlorophenyl)-5,7-Dihydroxy-4-Oxo-2-Chromenecarboxylic Acid Ethyl Ester; 3-(4-Chlorophenyl)-5,7-Dihydroxy-4-Keto-Chromene-2-Carboxylic Acid Ethyl Ester
• Molecular Formula: C₁₈H₁₃ClO₆
• Molecular Weight: 360.75
• CAS Registry Number: 13004-40-5
• SMILES: C1=C(O)C=C(O)C2=C1OC(=C(C2=O)C3=CC=C(Cl)C=C3)C(OCC)=O
• InChI: 1S/C18H13ClO6/c1-2-24-18(23)17-14(9-3-5-10(19)6-4-9)16(22)15-12(21)7-11(20)8-13(15)25-17/h3-8,20-21H,2H2,1H3
• InChIKey: KWQNFLZAEPQQJA-UHFFFAOYSA-N

Properties

• Density: 1.502g/cm³ (Cal.)
• Boiling point: 561.925°C at 760 mmHg (Cal.)
• Flash point: 293.642°C (Cal.)