5-Methyl-3-nitrobenzene-1,2-diol

Base Information

• Chemical Name: 5-Methyl-3-nitrobenzene-1,2-diol
• CAS No.: 89791-96-8
• Molecular Formula: C7H7 N O4
• Molecular Weight: 169.137
• NSC Number: 156935
• DSSTox Substance ID: DTXSID70398345
• Mol file: 89791-96-8.mol

Synonyms:5-methyl-3-nitrobenzene-1,2-diol;89791-96-8;4-methyl-6-nitrocatechol;NSC156935;5-methyl-3-nitrocatechol;5-methyl-3-nitro-pyrocatechol;SCHEMBL4847900;5-nitro-3,4-dihydroxyoxytoluene;DTXSID70398345;CHEBI:142286;5-methyl-3-nitro-1,2-benzenediol;MFCD32214876;AKOS037649281;NSC-156935;BS-17791;CS-0100160;D80979

Chemical Property of 5-Methyl-3-nitrobenzene-1,2-diol

Chemical Property:

• Vapor Pressure: 0.00109mmHg at 25°C
• Boiling Point: 291.8°C at 760 mmHg
• Flash Point: 131.8°C
• Density: 1.478g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 169.03750770
• Heavy Atom Count: 12
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-]

Technology Process of 5-Methyl-3-nitrobenzene-1,2-diol

There total 5 articles about 5-Methyl-3-nitrobenzene-1,2-diol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

2-methoxy-4-methyl-6-nitrophenol (53411-80-6) → 5-methyl-3-nitrobenzene-1,2-diol (89791-96-8)

Guidance literature:

With tetrabutyl ammonium fluoride; hydrogen bromide; In water; at 110 ℃; for 18h; Concentration;

Reference yield:

4-methyl-1,2-dihydroxybenzene (452-86-8) → 5-methyl-3-nitrobenzene-1,2-diol (89791-96-8)

Guidance literature:

With diethyl ether; nitric acid;

Reference yield:

2-Methoxy-4-methylphenol (93-51-6) → 5-methyl-3-nitrobenzene-1,2-diol (89791-96-8)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen bromide

2: diethyl ether; fuming nitric acid

With diethyl ether; hydrogen bromide; nitric acid;

upstream raw materials:

4-methyl-1,2-dihydroxybenzene

2-methoxy-4-methyl-6-nitrophenol

2-Methoxy-4-methylphenol

2-methoxy-5-methylphenyl acetate

Downstream raw materials:

3,4-dimethoxy-5-nitro-toluene

2-Hydroxy-5-methyl-3-nitro-benzochinon-(1,4)