2,5-Dimethoxy-3-nitrobenzoic acid

Base Information

• Chemical Name: 2,5-Dimethoxy-3-nitrobenzoic acid
• CAS No.: 17894-26-7
• Molecular Formula: C9H9NO6
• Molecular Weight: 227.174
• Hs Code.: 29189900
• European Community (EC) Number: 623-926-2
• DSSTox Substance ID: DTXSID80370071
• Nikkaji Number: J181.457E
• Wikidata: Q82157389
• Mol file: 17894-26-7.mol

Synonyms:2,5-Dimethoxy-3-nitrobenzoic acid;17894-26-7;2,5-Dimethoxy-3-nitro benzoic acid;2,5-Dimethoxy-3-nitrobenzoicAcid;SCHEMBL10753545;DTXSID80370071;MFCD00017022;AKOS005151341;Benzoic acid, 2,5-dimethoxy-3-nitro-;AS-62683;2,5-Dimethoxy-3-nitrobenzoic acid, 99%;D2949;FT-0610395;T70449;J-011413;4-AMINO-4-NITROSTILBENE-2,2-DISULFONICACIDDISODIUMSALT;InChI=1/C9H9NO6/c1-15-5-3-6(9(11)12)8(16-2)7(4-5)10(13)14/h3-4H,1-2H3,(H,11,12

Chemical Property of 2,5-Dimethoxy-3-nitrobenzoic acid

Chemical Property:

• Appearance/Colour: yellow crystalline powder
• Vapor Pressure: 4.55E-08mmHg at 25°C
• Melting Point: 183-187 °C (lit.)
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 427.5 °C at 760 mmHg
• Flash Point: 212.3 °C
• PSA: 101.58000
• Density: 1.403 g/cm³
• LogP: 1.83340
• Solubility.: soluble in Methanol
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 227.04298701
• Heavy Atom Count: 16
• Complexity: 276

Purity/Quality:

98% ^*data from raw suppliers

2,5-Dimethoxy-3-nitrobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1)[N+](=O)[O-])OC)C(=O)O

Technology Process of 2,5-Dimethoxy-3-nitrobenzoic acid

There total 5 articles about 2,5-Dimethoxy-3-nitrobenzoic acid 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: 76.0%

2,5-dimethoxybenzoic acid (2785-98-0) → 3,6-dimethoxy-2-nitrobenzoic acid (50472-09-8) + 2,5-dimethoxy-3-nitro-benzoic acid (17894-26-7)

Guidance literature:

With nitric acid;

DOI:10.1080/00397919908086212

Reference yield: 53.0%

methyl 2,5-Dimethoxy-3-nitrobenzoate (17894-27-8) → 2,5-dimethoxy-3-nitro-benzoic acid (17894-26-7)

Guidance literature:

With water; sodium hydroxide; In methanol; for 1h; Reflux;

DOI:10.1021/ja100579z

Reference yield:

2,5-dimethoxy-3-nitrobenzaldehyde (74422-90-5) → 2,5-dimethoxy-3-nitro-benzoic acid (17894-26-7)

Guidance literature:

upstream raw materials:

methyl 2,5-Dimethoxy-3-nitrobenzoate

2,5-dimethoxybenzoic acid

nitric acid

2,5-dimethoxy-3-nitrobenzaldehyde

Downstream raw materials:

3-amino-2,5-dimethoxybenzoic acid

C₁₉H₂₀N₂O₉

C₂₇H₂₇N₃O₁₁

C₂₈H₂₉N₃O₁₂