Ethyl 2,2-Dimethyl-5-(4-Methyl-2-Nitrophenyl)Diazenyl-4,6-Dioxocyclohexane-1-Carboxylate
[CAS# 38949-38-1]

Identification

• Name: Ethyl 2,2-Dimethyl-5-(4-Methyl-2-Nitrophenyl)Diazenyl-4,6-Dioxocyclohexane-1-Carboxylate
• Synonyms: Ethyl 2,2-Dimethyl-5-(4-Methyl-2-Nitro-Phenyl)Azo-4,6-Dioxo-Cyclohexane-1-Carboxylate; 2,2-Dimethyl-5-(4-Methyl-2-Nitrophenyl)Azo-4,6-Dioxo-1-Cyclohexanecarboxylic Acid Ethyl Ester; 4,6-Diketo-2,2-Dimethyl-5-(4-Methyl-2-Nitro-Phenyl)Azo-Cyclohexane-1-Carboxylic Acid Ethyl Ester
• Molecular Formula: C₁₈H₂₁N₃O₆
• Molecular Weight: 375.38
• CAS Registry Number: 38949-38-1
• EINECS: 254-207-8
• SMILES: C2=C(N=NC1C(=O)C(C(CC1=O)(C)C)C(OCC)=O)C(=CC(=C2)C)[N+]([O-])=O
• InChI: 1S/C18H21N3O6/c1-5-27-17(24)14-16(23)15(13(22)9-18(14,3)4)20-19-11-7-6-10(2)8-12(11)21(25)26/h6-8,14-15H,5,9H2,1-4H3
• InChIKey: SABNWZIMKVRPJZ-UHFFFAOYSA-N

Properties

• Density: 1.339g/cm³ (Cal.)
• Boiling point: 537.954°C at 760 mmHg (Cal.)
• Flash point: 279.145°C (Cal.)