3,6-Dinitrophenanthrene

Base Information

• Chemical Name: 3,6-Dinitrophenanthrene
• CAS No.: 100527-20-6
• Molecular Formula: C₁₄H₈N₂O₄
• Molecular Weight: 268.229
• DSSTox Substance ID: DTXSID40143369
• Nikkaji Number: J639.196F
• Wikidata: Q83007203
• Mol file: 100527-20-6.mol

Synonyms:3,6-Dinitrophenanthrene;100527-20-6;Phenanthrene, 3,6-dinitro-;CCRIS 7655;DTXSID40143369

Chemical Property of 3,6-Dinitrophenanthrene

Chemical Property:

• Vapor Pressure: 6.52E-10mmHg at 25°C
• Refractive Index: 1.5910 (estimate)
• Boiling Point: 507.3°Cat760mmHg
• Flash Point: 261.9°C
• PSA: 91.64000
• Density: 1.479g/cm³
• LogP: 4.85580
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 268.04840674
• Heavy Atom Count: 20
• Complexity: 365

Purity/Quality:

98%min ^*data from raw suppliers

3,6-DINITROPHENANTHRENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C(C=C2)[N+](=O)[O-])C3=C1C=CC(=C3)[N+](=O)[O-]

Technology Process of 3,6-Dinitrophenanthrene

There total 4 articles about 3,6-Dinitrophenanthrene 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: 6.6%

phenanthrene (85-01-8) → 3,6-Dinitro-phenanthren (100527-20-6) + 1,10-dinitro-phenanthrene (159092-68-9) + 2,10-dinitrophenanthrene (159092-71-4) + 3,10-dinitro-phenanthrene (159092-73-6)

Guidance literature:

With nitric acid; In acetic anhydride; at 20 ℃; for 1h; Further byproducts given;

DOI:10.1021/tx00043a006

Reference yield:

2-iodo-4-nitro-benzaldehyde (101421-31-2) → 3,6-Dinitro-phenanthren (100527-20-6)

Guidance literature:

Multistep reaction; (i) Cu, DMF, (ii) N₂H₄*H₂O, AcOH;

Reference yield:

5,5'-dinitro-biphenyl-2,2'-dicarbaldehyde (109186-89-2) → 3,6-Dinitro-phenanthren (100527-20-6)

Guidance literature:

With ethanol; hydrazine hydrate;

DOI:10.1039/jr9580001375

upstream raw materials:

5,5'-dinitro-biphenyl-2,2'-dicarbaldehyde

2-iodo-4-nitro-benzaldehyde

phenanthrene

1-bromomethyl-2-iodo-4-nitrobenzene

Downstream raw materials:

3,6-Diamino-phenanthren