5-nitro-1,10-phenanthroline-2,9-dicarboxylic Acid

Base Information

• Chemical Name: 5-nitro-1,10-phenanthroline-2,9-dicarboxylic Acid
• CAS No.: 164394-23-4
• Molecular Formula: C₁₄H₇N₃O₆
• Molecular Weight: 313.226
• DSSTox Substance ID: DTXSID30428798
• Nikkaji Number: J748.059H
• Wikidata: Q82241629
• Mol file: 164394-23-4.mol

Synonyms:5-nitro-1,10-phenanthroline-2,9-dicarboxylic Acid;164394-23-4;1,10-Phenanthroline-2,9-dicarboxylic acid, 5-nitro-;SCHEMBL8673214;DTXSID30428798;AKOS027320219;AS-68936;CS-0203375;E10325;5-Nitro-1,10-phenanthroline-2,9-dicarboxylicacid

Chemical Property of 5-nitro-1,10-phenanthroline-2,9-dicarboxylic Acid

Chemical Property:

• Melting Point: ca 215℃
• Boiling Point: 632.3°Cat760mmHg
• Flash Point: 336.2°C
• PSA: 155.43000
• Density: 1.73g/cm³
• LogP: 2.54650
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 313.03348495
• Heavy Atom Count: 23
• Complexity: 521

Purity/Quality:

99% ^*data from raw suppliers

5-Nitro-1,10-phenanthroline-2,9-dicarboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC2=C3C(=C(C=C21)[N+](=O)[O-])C=CC(=N3)C(=O)O)C(=O)O

Technology Process of 5-nitro-1,10-phenanthroline-2,9-dicarboxylic Acid

There total 4 articles about 5-nitro-1,10-phenanthroline-2,9-dicarboxylic 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: 85.0%

5-Nitro-2,9-bis(trichloromethyl)-1,10-phenanthroline (164394-22-3) → 5-Nitro-1,10-phenanthroline-2,9-dicarboxylic acid (164394-23-4)

Guidance literature:

With sulfuric acid; at 80 - 90 ℃; for 6h;

Reference yield:

2.9-dimethyl-1,10-phenanthroline (484-11-7) → 5-Nitro-1,10-phenanthroline-2,9-dicarboxylic acid (164394-23-4)

Guidance literature:

Multi-step reaction with 3 steps

1: HNO₃, H₂SO₄

2: 81 percent / NCS, benzoic acid / CCl₄ / 24 h / Heating

3: 85 percent / 98percent H₂SO₄ / 6 h / 80 - 90 °C

With N-chloro-succinimide; sulfuric acid; nitric acid; benzoic acid; In Carbon tetrachloride;

Reference yield:

5-Nitro-2,9-dimethyl-1,10-phenanthroline (118752-27-5) → 5-Nitro-1,10-phenanthroline-2,9-dicarboxylic acid (164394-23-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / NCS, benzoic acid / CCl₄ / 24 h / Heating

2: 85 percent / 98percent H₂SO₄ / 6 h / 80 - 90 °C

With N-chloro-succinimide; sulfuric acid; benzoic acid; In Carbon tetrachloride;

upstream raw materials:

5-Nitro-2,9-bis(trichloromethyl)-1,10-phenanthroline

2.9-dimethyl-1,10-phenanthroline

5-Nitro-2,9-dimethyl-1,10-phenanthroline

Refernces

• 1、 -. "Forming a complex compound fluorescent biuranate, synthesis of the same, and method of measuring probe for measuring fluorescent biuranate biuranate". . . Retrieved 2016/10/09.