2-[[4-[Bis(2-Iodoethyl)Amino]-2-Methylphenyl]Azo]Benzoic Acid
[CAS# 40136-89-8]

Identification

• Name: 2-[[4-[Bis(2-Iodoethyl)Amino]-2-Methylphenyl]Azo]Benzoic Acid
• Synonyms: 2-[4-(Bis(2-Iodoethyl)Amino)-2-Methyl-Phenyl]Azobenzoic Acid; 2-[4-(Bis(2-Iodoethyl)Amino)-2-Methylphenyl]Azobenzoic Acid; 2-[4-(Bis(2-Iodoethyl)Amino)-2-Methyl-Phenyl]Diazenylbenzoic Acid
• Molecular Formula: C₁₈H₁₉I₂N₃O₂
• Molecular Weight: 563.18
• CAS Registry Number: 40136-89-8
• SMILES: C1=C(C=CC(=C1C)N=NC2=C(C=CC=C2)C(=O)O)N(CCI)CCI
• InChI: 1S/C18H19I2N3O2/c1-13-12-14(23(10-8-19)11-9-20)6-7-16(13)21-22-17-5-3-2-4-15(17)18(24)25/h2-7,12H,8-11H2,1H3,(H,24,25)
• InChIKey: QFQHSEVSDPSZRN-UHFFFAOYSA-N

Properties

• Density: 1.791g/cm³ (Cal.)
• Boiling point: 635.258°C at 760 mmHg (Cal.)
• Flash point: 337.992°C (Cal.)