2-(3-Amino-6-Iminoxanthen-9-Yl)Benzoic Acid
[CAS# 30378-58-6]

Identification

• Name: 2-(3-Amino-6-Iminoxanthen-9-Yl)Benzoic Acid
• Synonyms: 2-(3-Amino-6-Imino-Xanthen-9-Yl)Benzoic Acid; 2-(3-Amino-6-Imino-9-Xanthenyl)Benzoic Acid; Benzoic Acid, 2-(6-Amino-3-Imino-3H-Xanthen-9-Yl)-
• Molecular Formula: C₂₀H₁₄N₂O₃
• Molecular Weight: 330.34
• CAS Registry Number: 30378-58-6
• SMILES: C1=CC(=CC3=C1C(=C2C(=CC(=N)C=C2)O3)C4=C(C=CC=C4)C(O)=O)N
• InChI: 1S/C20H14N2O3/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,22H2,(H,23,24)
• InChIKey: UPZKDDJKJWYWHQ-UHFFFAOYSA-N

Properties

• Density: 1.405g/cm³ (Cal.)
• Boiling point: 629.291°C at 760 mmHg (Cal.)
• Flash point: 334.383°C (Cal.)

References

• (1): Yusop et al.. Palladium-mediated intracellular chemistry, Nature Chemistry, 2011