2-Iodo-6-Isopropyl-3-Methyl-2',4,4'-Trinitrodiphenyl Ether
[CAS# 69311-70-2]

Identification

• Name: 2-Iodo-6-Isopropyl-3-Methyl-2',4,4'-Trinitrodiphenyl Ether
• Synonyms: 2-(2,4-Dinitrophenoxy)-3-Iodo-1-Isopropyl-4-Methyl-5-Nitro-Benzene; 2-(2,4-Dinitrophenoxy)-3-Iodo-1-Isopropyl-4-Methyl-5-Nitrobenzene; 4-(2,4-Dinitrophenoxy)-3-Iodo-2-Methyl-1-Nitro-5-Propan-2-Yl-Benzene
• Molecular Formula: C₁₆H₁₄IN₃O₇
• Molecular Weight: 487.21
• CAS Registry Number: 69311-70-2
• SMILES: C1=C(C(=C(I)C(=C1[N+]([O-])=O)C)OC2=CC=C([N+]([O-])=O)C=C2[N+]([O-])=O)C(C)C
• InChI: 1S/C16H14IN3O7/c1-8(2)11-7-12(19(23)24)9(3)15(17)16(11)27-14-5-4-10(18(21)22)6-13(14)20(25)26/h4-8H,1-3H3
• InChIKey: JWEBDWJHYHAROA-UHFFFAOYSA-N

Properties

• Density: 1.716g/cm³ (Cal.)
• Boiling point: 465.268°C at 760 mmHg (Cal.)
• Flash point: 235.186°C (Cal.)