89791-96-8

Basic information

• Product Name: 5-methyl-3-nitrobenzene-1,2-diol
• CAS NO: 89791-96-8
• Molecular Formula: C₇H₇NO₄
• Molecular Weight: 169.1348
• Mol File: 89791-96-8.mol

Chemical Properties

• Boiling Point: 291.8°C at 760 mmHg
• Flash Point: 131.8°C
• Density: 1.478g/cm³
• Vapor Pressure: 0.00109mmHg at 25°C
• Refractive Index: 1.643
• CAS DataBase Reference: 5-methyl-3-nitrobenzene-1,2-diol(CAS DataBase Reference)
• NIST Chemistry Reference: 5-methyl-3-nitrobenzene-1,2-diol(89791-96-8)
• EPA Substance Registry System: 5-methyl-3-nitrobenzene-1,2-diol(89791-96-8)

Safety Data

• Hazardous Substances Data: 89791-96-8(Hazardous Substances Data)

Upstream product

• 1688-19-3 2-methoxy-5-methylphenyl acetate 
• 93-51-6 2-Methoxy-4-methylphenol 
• 53411-80-6 2-methoxy-4-methyl-6-nitrophenol 
• 452-86-8 4-methyl-1,2-dihydroxybenzene 

Downstream Products

• 78380-78-6 3,4-dimethoxy-5-nitro-toluene 
• 89677-97-4 2-Hydroxy-5-methyl-3-nitro-benzochinon-(1,4) 

Relevant articles and documents

Gas-phase IR cross-sections and single crystal structures data for atmospheric relevant nitrocatechols

The gas-phase IR absorption cross sections for 3-nitrocatechol, 5-methyl-3-nitrocatechol, 4-nitrocatechol and 4-methyl-5-nitrocatechol were evaluated using the ESC-Q-UAIC (the environmental simulation chamber made of quartz from the “Alexandru Ioan Cuza” University of Iasi, Romania) photoreactor facilities. Specific infrared absorptions and integrated band intensities in the range of 650–4000 cm?1 were investigated by long path gas-phase FT-IR technique. Two different addition methods (solid and liquid transfer methods) of nitrocatechols into the reactor were employed in these investigations. All investigated nitrocatechols were synthesized and characterized by X-ray diffraction spectroscopy techniques beside traditional nuclear magnetic resonance (NMR) and infrared (IR) spectroscopy in order to evaluate their structure-properties relationship in gas and solid phase. This study reports for the first time the gas-phase infrared cross sections and the X-ray diffraction analysis for (methyl) nitrocatechols.

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