39846-76-9

Basic information

• Product Name: 2,5-Cyclohexadien-1-one, 2,3,4,5,6-pentamethyl-4-nitro-
• CAS NO: 39846-76-9
• Molecular Formula: C11H15NO3
• Molecular Weight: 209.245
• Mol File: 39846-76-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2,5-Cyclohexadien-1-one, 2,3,4,5,6-pentamethyl-4-nitro-(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-Cyclohexadien-1-one, 2,3,4,5,6-pentamethyl-4-nitro-(39846-76-9)
• EPA Substance Registry System: 2,5-Cyclohexadien-1-one, 2,3,4,5,6-pentamethyl-4-nitro-(39846-76-9)

Safety Data

• Hazardous Substances Data: 39846-76-9(Hazardous Substances Data)

Upstream product

• 14804-37-6 1-methoxy-2,3,4,5,6-pentamethylbenzene 
• 2819-86-5 pentamethylphenol 

Relevant articles and documents

The Nitration of Pentamethylphenol

Nitration of pentamethylphenol (1) with nitrogen dioxide in benzene gives the four possible 2,5,6-trinitrocyclohex-3-enones (6), (7), (8) and (9), three 4,5,6-trinitrocyclohex-2-enones (10), (11) and , the 2-hydroxy-5,6-dinitrocyclohex-3-enone (14), quinone (17) and the 4-nitro dienone (3).The fuming nitric acid nitration of pentamethylphenol (1) for 90 h gives most of these products, except that 4-nitratomethyl-2,5,6-trinitrocyclohex-3-enones (21), (22), (23) and (24) are isolated.X-ray crystal structures are reported for compounds (6), (7), (8), (10), (11), (14) and (21).