2-Iodo-Acetic Acid 2-[Methyl(7-Nitro-2,1,3-Benzoxadiazol-4-Yl)Amino]Ethyl Ester
[CAS# 67013-48-3]

Identification

• Name: 2-Iodo-Acetic Acid 2-[Methyl(7-Nitro-2,1,3-Benzoxadiazol-4-Yl)Amino]Ethyl Ester
• Synonyms: 2-Iodoacetic Acid 2-[Methyl-(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Ethyl Ester; 2-Iodoacetic Acid 2-[Methyl-(7-Nitrobenzofurazan-4-Yl)Amino]Ethyl Ester; 2-[Methyl-(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Ethyl 2-Iodoethanoate
• Molecular Formula: C₁₁H₁₁IN₄O₅
• Molecular Weight: 406.14
• CAS Registry Number: 67013-48-3
• SMILES: C2=C(C1=NON=C1C(=C2)[N+](=O)[O-])N(CCOC(CI)=O)C
• InChI: 1S/C11H11IN4O5/c1-15(4-5-20-9(17)6-12)7-2-3-8(16(18)19)11-10(7)13-21-14-11/h2-3H,4-6H2,1H3
• InChIKey: BEDDXHFONHIYPB-UHFFFAOYSA-N

Properties

• Density: 1.894g/cm³ (Cal.)
• Boiling point: 523.263°C at 760 mmHg (Cal.)
• Flash point: 270.26°C (Cal.)