3,4-Dibromo-2-[(E)-4-(2,3-Dibromo-6-Carboxyphenoxy)-4-Oxobut-2-Enoyl]Oxybenzoic Acid
[CAS# 106044-07-9]

Identification

• Name: 3,4-Dibromo-2-[(E)-4-(2,3-Dibromo-6-Carboxyphenoxy)-4-Oxobut-2-Enoyl]Oxybenzoic Acid
• Synonyms: 3,4-Dibromo-2-[(E)-4-(2,3-Dibromo-6-Carboxy-Phenoxy)-4-Oxo-But-2-Enoyl]Oxy-Benzoic Acid; 3,4-Dibromo-2-[(E)-4-(2,3-Dibromo-6-Carboxyphenoxy)-1,4-Dioxobut-2-Enoxy]Benzoic Acid; 3,4-Dibromo-2-[(E)-4-(2,3-Dibromo-6-Carboxy-Phenoxy)-4-Keto-But-2-Enoyl]Oxy-Benzoic Acid
• Molecular Formula: C₁₈H₈Br₄O₈
• Molecular Weight: 671.87
• CAS Registry Number: 106044-07-9
• SMILES: C2=CC(=C(OC(\C=C\C(=O)OC1=C(C=CC(=C1Br)Br)C(=O)O)=O)C(=C2Br)Br)C(=O)O
• InChI: 1S/C18H8Br4O8/c19-9-3-1-7(17(25)26)15(13(9)21)29-11(23)5-6-12(24)30-16-8(18(27)28)2-4-10(20)14(16)22/h1-6H,(H,25,26)(H,27,28)/b6-5+
• InChIKey: PTADHGRSLBSSSY-AATRIKPKSA-N

Properties

• Density: 2.174g/cm³ (Cal.)
• Boiling point: 729.37°C at 760 mmHg (Cal.)
• Flash point: 394.909°C (Cal.)