42792-96-1

Basic information

• Product Name: 2-Methyl-5-nitro-2H-isoquinolin-1-one
• Synonyms: 2-Methyl-5-nitro-2H-isoquinolin-1-one;2-Methyl-5-nitro-1,2-dihydroisoquinolin-1-one
• CAS NO: 42792-96-1
• Molecular Formula: C₁₀H₈N₂O₃
• Molecular Weight: 204.19
• Mol File: 42792-96-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 401.4 °C at 760 mmHg
• Flash Point: 196.5 °C
• Appearance: /
• Density: 1.37 g/cm³
• Vapor Pressure: 1.19E-06mmHg at 25°C
• Refractive Index: 1.629
• PKA: -3.06±0.70(Predicted)
• CAS DataBase Reference: 2-Methyl-5-nitro-2H-isoquinolin-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Methyl-5-nitro-2H-isoquinolin-1-one(42792-96-1)
• EPA Substance Registry System: 2-Methyl-5-nitro-2H-isoquinolin-1-one(42792-96-1)

Safety Data

• Hazardous Substances Data: 42792-96-1(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Chemical and Pharmaceutical Bulletin, 29, p. 249, 1981 DOI: 10.1248/cpb.29.249

InChI:InChI=1/C10H8N2O3/c1-11-6-5-7-8(10(11)13)3-2-4-9(7)12(14)15/h2-6H,1H3

Upstream product

• 4217-54-3 9,10-dihydro-10-methylacridine 
• 42792-95-0 2-methyl-5-nitroisoquinolin-2-ium iodide 

Relevant articles and documents

KINETICS OF HYDRIDE TRANSFER BETWEEN NITROGEN HETEROAROMATIC CATIONS

The kinetics of the reduction of the 3-cyano-1-methylquinolinium, 4-cyano-2-methylisoquinolinium, and 2-methyl-5-nitroisoquinolinium cations by 9,10-dihydro-10-methylacridine, and also the reduction of these same three cations as well as the 10-methylacridinium cation by 5,6-dihydro-5-methylphenanthridine, have been investigated in 20percent acetonitrile - 80percent water, ionic strength 1.0, 25 deg C.The reactions of the 2-methyl-5-nitroisoquinolinium cation with both reductants, and also of the 4-cyano-2-methylisoquinolinium cation with 9,10-dihydro-10-methylacridine, display kinetic saturation effects in the pseudo-first-order rate constants as a function of heterocyclic cation concentration.These effects are consistent with the formation of 1:1 association complexes between hydride donor and acceptor prior to the rate-determining step of the reduction.The second-order rate constants for these reactions, and also those for analogous heterocyclic cation reductions by 1,4-dihydronicotinamides, show systematic variations as a function of the hydride donor and acceptor species.