2-[(E)-2-Carboxyvinyl]Benzoic Acid
[CAS# 18454-53-0]

Identification

• Name: 2-[(E)-2-Carboxyvinyl]Benzoic Acid
• Synonyms: (E)-2-(2-carboxyvinyl)benzoic acid; (E/Z)-4-Carboxycinnamic acid
• Molecular Formula: C₁₀H₈O₄
• Molecular Weight: 192.17
• CAS Registry Number: 18454-53-0
• SMILES: C1=CC=C(C(=C1)/C=C/C(=O)O)C(=O)O
• InChI: 1S/C10H8O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)(H,13,14)/b6-5+
• InChIKey: SCWPNMHQRGNQHH-AATRIKPKSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 195-205°C (Expl.)
• Boiling point: 416.7±28.0°C at 760 mmHg (Cal.)
• Flash point: 219.9±20.5°C (Cal.)
• Refractive index: 1.658 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): F. Li, Y. Wang, W. Bi, X. Li and R. Cao. A new supramolecular framework through hydrogen bonds in catena-poly[[[tetraaquacobalt(II)]-[mu]-4,4-bipyridine-[kappa]N:N'] 2-carboxylatocinnamate dihydrate], Acta Cryst. (2004). E60, m1681-m1683