3-Hydroxy-2-nitrobenzaldehyde

Base Information

• Chemical Name: 3-Hydroxy-2-nitrobenzaldehyde
• CAS No.: 42123-33-1
• Molecular Formula: C7H5NO4
• Molecular Weight: 167.121
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID00548518
• Wikidata: Q82427248
• Mol file: 42123-33-1.mol

Synonyms:3-Hydroxy-2-nitrobenzaldehyde;42123-33-1;hydroxynitrobenzaldehyde;SCHEMBL2422942;SCHEMBL18573752;DTXSID00548518;ADSNHKTXYJZXDF-UHFFFAOYSA-N;MFCD09753744;AKOS016005866;CS-16700;CS-0102239;EN300-218645;Z1255446860

Chemical Property of 3-Hydroxy-2-nitrobenzaldehyde

Chemical Property:

• Melting Point: 152 °C
• Boiling Point: 289.1±25.0 °C(Predicted)
• PKA: 7.08±0.10(Predicted)
• PSA: 83.12000
• Density: 1.500±0.06 g/cm3(Predicted)
• LogP: 1.63610
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.8
• 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

3-Hydroxy-2-nitrobenzaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Hydroxy-2-nitrobenzaldehyde

There total 8 articles about 3-Hydroxy-2-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: 69.0%

meta-hydroxybenzaldehyde (100-83-4) → 2-nitro-5-hydroxybenzaldehyde (42454-06-8) + 3-hydroxy-2-nitrobenzaldehyde (42123-33-1)

Guidance literature:

With perchloric acid; montmorillonite K₁₀ supported ammonium nitrate; at 60 ℃; for 1.66667h;

DOI:10.1081/SCC-120021840

Reference yield: 47.0%

meta-hydroxybenzaldehyde (100-83-4) → 3-hydroxy-2-nitrobenzaldehyde (42123-33-1) + 5-formyl-2-nitrophenol (704-13-2)

Guidance literature:

With isopropyl nitrate; sulfuric acid; tetra(n-butyl)ammonium hydrogensulfate; In dichloromethane; at 20 ℃; for 0.25h; Inert atmosphere;

DOI:10.1002/cmdc.201500179

Reference yield:

3-methoxy 2-nitrobenzaldehyde (53055-05-3) → 3-hydroxy-2-nitrobenzaldehyde (42123-33-1)

Guidance literature:

With boron tribromide; In dichloromethane;

upstream raw materials:

1-acetoxy-3-diacetoxymethyl-2-nitro-benzene

meta-hydroxybenzaldehyde

3-methoxy 2-nitrobenzaldehyde

acetic acid-(3-methyl-2-nitro-phenyl ester)

Downstream raw materials:

4-(3-Formyl-2-nitro-phenoxy)-butyric acid ethyl ester

4-bromo-3-hydroxy-2-nitro-benzaldehyde

4,6-dibromo-3-hydroxy-2-nitro-benzaldehyde

(E)-2-acetoxy-6-[2-(pyridin-4-yl)ethenyl]nitrobenzene