2-Hydroxy-4-nitrobenzaldehyde

Base Information

• Chemical Name: 2-Hydroxy-4-nitrobenzaldehyde
• CAS No.: 2460-58-4
• Molecular Formula: C7H5NO4
• Molecular Weight: 167.121
• Hs Code.: 2913000090
• European Community (EC) Number: 219-549-4
• NSC Number: 82622
• UNII: 94S8EF8NEF
• DSSTox Substance ID: DTXSID80179349
• Nikkaji Number: J30.757B
• Wikidata: Q83049875
• Mol file: 2460-58-4.mol

Synonyms:4-nitrosalicylaldehyde

Chemical Property of 2-Hydroxy-4-nitrobenzaldehyde

Chemical Property:

• Appearance/Colour: yellow crystalline solid
• Vapor Pressure: 0.000355mmHg at 25°C
• Melting Point: 128-130 °C
• Refractive Index: 1.666
• Boiling Point: 309.2 °C at 760 mmHg
• PKA: 6.37±0.19(Predicted)
• Flash Point: 141.8 °C
• PSA: 83.12000
• Density: 1.5 g/cm³
• LogP: 1.63610
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform, Dichloromethane, Methanol,
• XLogP3: 2
• 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:

97% ^*data from raw suppliers

2-Hydroxy-4-nitrobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])O)C=O
• Uses: 2-Hydroxy-4-nitrobenzaldehyde (cas# 2460-58-4) is a compound useful in organic synthesis.

Technology Process of 2-Hydroxy-4-nitrobenzaldehyde

There total 16 articles about 2-Hydroxy-4-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: 96.0%

4-nitro-2-methoxybenzaldehyde (136507-15-8) → 2-hydroxy-4-nitrobenzaldehyde (2460-58-4)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at -78 - 20 ℃; for 4h;

DOI:10.5012/bkcs.2011.32.5.1461

Reference yield: 93.0%

2-(hydroxymethyl)-5-nitrophenol (57356-40-8) → 2-hydroxy-4-nitrobenzaldehyde (2460-58-4)

Guidance literature:

With oxygen; In ethanol; at 20 ℃; for 0.7h; under 760.051 Torr; Catalytic behavior; Green chemistry;

DOI:10.1007/s13738-017-1131-z

Reference yield: 93.0%

4-nitro-salicylaldoxime (17580-65-3) → 2-hydroxy-4-nitrobenzaldehyde (2460-58-4)

Guidance literature:

With tris[trinitratocerium(IV)] paraperiodate; at 90 ℃; for 0.25h;

upstream raw materials:

1-acetoxy-2-dibromomethyl-5-nitrobenzene

2-acetoxy-1-diacetoxymethyl-4-nitro-benzene

2-(hydroxymethyl)-5-nitrophenol

meta-nitrophenol

Downstream raw materials:

(+/-)-2t,5c-bis-(2-hydroxy-4-nitro-phenyl)-3-methyl-oxazolidine-4r-carboxylic acid ethyl ester

(+/-)-2t,5t-bis-(2-hydroxy-4-nitro-phenyl)-3-methyl-oxazolidine-4r-carboxylic acid ethyl ester

6-nitrobenzisoxazole

6-nitro-1,3-benzoxazol-2-amine