2-Nitronicotinaldehyde

Base Information

• Chemical Name: 2-Nitronicotinaldehyde
• CAS No.: 5175-26-8
• Molecular Formula: C6H4N2O3
• Molecular Weight: 152.109
• Hs Code.: 2933399090
• European Community (EC) Number: 862-277-1
• DSSTox Substance ID: DTXSID40698602
• Nikkaji Number: J735.782F
• Wikidata: Q82628916
• Mol file: 5175-26-8.mol

Synonyms:2-NITRONICOTINALDEHYDE;5175-26-8;2-NITROPYRIDINE-3-CARBALDEHYDE;DTXSID40698602;MFCD06797225;AKOS006284522;AB29571;BS-16950;EN300-180042;F77130;Z1198170549

Chemical Property of 2-Nitronicotinaldehyde

Chemical Property:

• Vapor Pressure: 4.23E-05mmHg at 25°C
• Boiling Point: 351°C at 760 mmHg
• Flash Point: 166.1°C
• PSA: 75.78000
• Density: 1.432g/cm³
• LogP: 1.32550
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 152.02219199
• Heavy Atom Count: 11
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

2-Nitronicotinaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Nitronicotinaldehyde

There total 2 articles about 2-Nitronicotinaldehyde 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:

3-pyridinecarboxaldehyde (500-22-1) → 2-Nitro-nicotinaldehyd (5175-26-8)

Guidance literature:

With nitric acid; at 0 - 20 ℃; for 2h; regioselective reaction;

DOI:10.1016/j.bmcl.2021.128371

Reference yield:

→ 2-Nitro-nicotinaldehyd (5175-26-8)

Guidance literature:

3-Dibrommethyl-2-nitro-pyridin, AgNO3, in sd. wss. A.;

DOI:10.1039/j39660000315

Reference yield:

2-Nitro-nicotinaldehyd (5175-26-8) → 2-Aminonicotinaldehyde (7521-41-7)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/co3000133

upstream raw materials:

3-pyridinecarboxaldehyde

Downstream raw materials:

2-Aminonicotinaldehyde

C₁₅H₁₈N₄O

(2-amino-1,8-naphthyridin-3-yl)(2-phenyl-1H-indol-3-yl)methanone

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