4,4'-[(E)-1,2-Ethenediyl]Dibenzoic Acid
[CAS# 133005-88-6]

Identification

• Name: 4,4'-[(E)-1,2-Ethenediyl]Dibenzoic Acid
• Synonyms: (E)-1,2-bis-[4-carboxyphenyl]ethene; (E)-4,4′-(ethene-1,2-diyl)dibenzoic acid; (E)-4,4′-(ethene-1,2-diyl)dibenzoic acid
• Molecular Formula: C₁₆H₁₂O₄
• Molecular Weight: 268.26
• CAS Registry Number: 133005-88-6
• SMILES: C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(=O)O)C(=O)O
• InChI: 1S/C16H12O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H,17,18)(H,19,20)/b2-1+
• InChIKey: SBBQDUFLZGOASY-OWOJBTEDSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 518.5±39.0°C at 760 mmHg (Cal.)
• Flash point: 281.4±23.6°C (Cal.)
• Refractive index: 1.713 (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Hyunuk Kim, Gyungse Park and Kimoon Kim. Two-dimensional metal–organic network with an unusual 3 topology and a cubic close packing pattern, CrystEngComm, 2008, 10, 954.