Methyl 2-(3,6-Diamino-4-Iodo-9H-Xanthen-9-Yl)Benzoate
[CAS# 109282-63-5]

Identification

• Name: Methyl 2-(3,6-Diamino-4-Iodo-9H-Xanthen-9-Yl)Benzoate
• Synonyms: 2-(3,6-Diamino-4-Iodo-9H-Xanthen-9-Yl)Benzoic Acid Methyl Ester; 2'-Iododihydrorhodamine 123; Benzoic Acid, 2-(3,6-Diamino-4-Iodo-9H-Xanthen-9-Yl)-, Methyl Ester
• Molecular Formula: C₂₁H₁₇IN₂O₃
• Molecular Weight: 472.28
• CAS Registry Number: 109282-63-5
• SMILES: C1=CC(=C(I)C2=C1C(C3=C(O2)C=C(N)C=C3)C4=CC=CC=C4C(OC)=O)N
• InChI: 1S/C21H17IN2O3/c1-26-21(25)13-5-3-2-4-12(13)18-14-7-6-11(23)10-17(14)27-20-15(18)8-9-16(24)19(20)22/h2-10,18H,23-24H2,1H3
• InChIKey: VXSMFLODMGQAJI-UHFFFAOYSA-N

Properties

• Density: 1.652g/cm³ (Cal.)
• Boiling point: 558.528°C at 760 mmHg (Cal.)
• Flash point: 291.587°C (Cal.)