91734-80-4

Basic information

• Product Name: t-6-hydroxy-2,6-dimethyl-r-2,4,t-5-trinitrocyclohex-3-enone
• CAS NO: 91734-80-4
• Molecular Weight: 275.175
• Mol File: 91734-80-4.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: t-6-hydroxy-2,6-dimethyl-r-2,4,t-5-trinitrocyclohex-3-enone(CAS DataBase Reference)
• NIST Chemistry Reference: t-6-hydroxy-2,6-dimethyl-r-2,4,t-5-trinitrocyclohex-3-enone(91734-80-4)
• EPA Substance Registry System: t-6-hydroxy-2,6-dimethyl-r-2,4,t-5-trinitrocyclohex-3-enone(91734-80-4)

Safety Data

• Hazardous Substances Data: 91734-80-4(Hazardous Substances Data)

Upstream product

• 879-97-0 2,6-dimethyl-4-tert-butylphenol 
• 2423-71-4 2,6-dimethyl-4-nitro phenol 
• 2374-05-2 4-bromo-2,6-dimethyl-phenol 

Relevant articles and documents

The Nitration of 4-Nitro- and 4-Bromo-2,6-dimethylphenols; X-Ray Crystal Structures of t-6-Hydroxy-2,6-dimethyl-r-2,4,t-5-trinitrocyclohex-3-enone, r-2,t-6-Dihydroxy-2,6-dimethyl-4,t-5-dinitrocyclohex-3-enone and 4-Bromo-t-6-hydroxy-2,6-dimethyl-r-2,t-5-dinitrocyclohex-3-enone

The nitration of 2,6-dimethyl-4-nitrophenol (1b), with either fuming nitric acid in acetic acid or nitrogen dioxide in dichloromethane, gives the C2-epimeric hydroxy trinitro ketones (4) and (5), the dinitro phenol (6) and the dihydroxy dinitro ketone (7).The nitration of the 4-bromo phenol (1c) is accompanied by some nitro-debromination and compounds (4), (5) and (13)-(17) are isolated.X-ray structure determinations are reported for compounds (5), (7) and (14).