112251-86-2

Basic information

• Product Name: 2,5-Cyclohexadien-1-one, 4-methyl-3,4-dinitro-
• CAS NO: 112251-86-2
• Molecular Formula: C7H6N2O5
• Molecular Weight: 198.135
• Mol File: 112251-86-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2,5-Cyclohexadien-1-one, 4-methyl-3,4-dinitro-(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-Cyclohexadien-1-one, 4-methyl-3,4-dinitro-(112251-86-2)
• EPA Substance Registry System: 2,5-Cyclohexadien-1-one, 4-methyl-3,4-dinitro-(112251-86-2)

Safety Data

• Hazardous Substances Data: 112251-86-2(Hazardous Substances Data)

Usage

General Description

2,5-Cyclohexadien-1-one, 4-methyl-3,4-dinitro- is a chemical compound with the molecular formula C7H7N3O5. It is a yellow crystalline solid and is used as an intermediate in the production of pharmaceuticals and agrochemicals. It is also known for its use in organic synthesis, as it can be used in the preparation of various aromatic compounds. However, it is important to handle this chemical with caution, as it is toxic if ingested or inhaled, and can cause irritation to the skin and eyes. Additionally, it is a potential environmental hazard and should be handled and disposed of properly.

Upstream product

• 17484-36-5 4-Methyl-3-nitroanisole 
• 108-24-7 acetic anhydride 
• 2042-14-0 4-methyl-5-nitrophenol 

Relevant articles and documents

ipso NITRATION. XXIX. NITRATION OF SUBSTITUTED 4-METHYLANISOLES AND PHENOLS

Nitration of 2-chloro-4-methylanisole (1a) in acetic anhydride gives (Z)-4-chloro-3-methoxy-6-methyl-6-nitrocyclohexa-2,4-dienyl acetate (2a), 2-chloro-4-methyl-4-nitrocyclohexa-2,5-dienone (3a), and 2-chloro-4-methyl-6-nitroanisole (4a).Similarly 2-bromo-4-methylanisole (1b) gives (Z)-4-bromo-3-methoxy-6-methyl-6-nitrocyclohexa-2,4-dienyl acetate (2b), 2-bromo-4-methyl-4-nitrocyclohexa-2,5-dienone (3b), and 2-bromo-4-methyl-6-nitroanisole (4b), whereas 4-methyl-2-nitro-anisole (1c) gives (Z)-3-methoxy-6-methyl-4,6-dinitrocyclohexa-2,4-dienyl acetate (2c), (Z)-3-methoxy-6-methyl-2,6-dinitrocyclohexa-2,4-dienyl acetate (7), and 4-methyl-2,6-dinitroanisole (4c).Nitration of 3-chloro-4-methylanisole (9a) gives 3-chloro-4-methyl-4-nitrocyclohexa-2,5-dienone (10a), 3-chloro-4-methyl-2-nitro anisole (11a), and 5-chloro-4-methyl-2-nitroanisole (12a), and 4-methyl-3-nitroanisole (9c) gives (Z)-3-methoxy-6-methyl-5,6-dinitrocyclohexa-2,4-dienyl acetate (13), 4-methyl-2,3-dinitroanisole (11c), and 4-methyl-2,5-dinitroanisole (12c).Nitration of 2-chloro-4-methylphenol (14) in chloroform gives 3a and 2-chloro-4-methyl-6-nitrophenol (5a), and 3-chloro-4-methylphenol (15) gives dienone 10a, 3-chloro-4-methyl-2-nitrophenol (16), and 5-chloro-4-methyl-2-nitrophenol (17).