4-Hydroxy-3-nitrobenzaldehyde

Base Information

• Chemical Name: 4-Hydroxy-3-nitrobenzaldehyde
• CAS No.: 3011-34-5
• Molecular Formula: C7H5NO4
• Molecular Weight: 167.121
• Hs Code.: 29130000
• European Community (EC) Number: 221-141-6
• NSC Number: 138267
• DSSTox Substance ID: DTXSID80184195
• Nikkaji Number: J178C
• Wikidata: Q72480655
• ChEMBL ID: CHEMBL378361
• Mol file: 3011-34-5.mol

Synonyms:4-hydroxy-3-nitrobenzaldehyde

Chemical Property of 4-Hydroxy-3-nitrobenzaldehyde

Chemical Property:

• Appearance/Colour: Yellow-brown to brown powder
• Vapor Pressure: 0.00312mmHg at 25°C
• Melting Point: 139-144 °C
• Refractive Index: 1.6280 (estimate)
• Boiling Point: 275 °C at 760 mmHg
• PKA: 4.99±0.14(Predicted)
• Flash Point: 124.3 °C
• PSA: 83.12000
• Density: 1.5 g/cm³
• LogP: 1.63610
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 167.02185764
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

4-Formyl-2-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=O)[N+](=O)[O-])O
• Uses: 4-Hydroxy-3-nitrobenzaldehyde is an Intermediate used in synthesis of novel amodiaquine analogs as potential antimalarial and antifilarial compounds. 4-Hydroxy-3-nitrobenzaldehyde was used in the synthesis of:4-hydroxy-3-nitrocinnamic acid solvated benzohydrazone derivatives: N′-(4-hydroxy-3-nitrobenzylidene)-3-methylbenzohydrazide-methanol-water

Technology Process of 4-Hydroxy-3-nitrobenzaldehyde

There total 34 articles about 4-Hydroxy-3-nitrobenzaldehyde 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: 100.0%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-hydroxy-3-nitrobenzaldehyde (3011-34-5)

Guidance literature:

With dinitrogen tetraoxide; ferric nitrate; In acetone; for 2.5h; Ambient temperature;

DOI:10.1080/00397919708005630

Reference yield: 91.0%

4-hydroxymethyl-2-nitrophenol (41833-13-0) → 4-hydroxy-3-nitrobenzaldehyde (3011-34-5)

Guidance literature:

With manganese(II) nitrate hexahydrate; copper(II) nitrate trihydrate; acetic acid; In α,α,α-trifluorotoluene; at 50 ℃; for 2h; chemoselective reaction; In air;

DOI:10.1002/chem.200903527

Reference yield: 87.0%

4-methyl-2-nitrophenol (119-33-5) → 4-hydroxy-3-nitrobenzaldehyde (3011-34-5)

Guidance literature:

With oxygen; cobalt(II) diacetate tetrahydrate; sodium hydroxide; In ethylene glycol; at 80 ℃; for 8h; under 760.051 Torr;

DOI:10.1016/j.tetlet.2013.12.077

upstream raw materials:

4-hydroxymethyl-2-nitrophenol

4-bromo-3-nitrobenzaldehyde

4-acetamido-3-nitrobenzaldehyde

4-fluoro-3-nitrobenzaldehyde

Downstream raw materials:

trans-3-(3-nitro-4-hydroxyphenyl)-acrylic acid

4-hydroxy-3-nitro-benzaldehyde-oxime

2,4,6-Trinitrophenol

4-hydroxy-3,5-dinitrobenzaldehyde