3,8-Dinitro-6-phenylphenanthridine

Base Information

• Chemical Name: 3,8-Dinitro-6-phenylphenanthridine
• CAS No.: 82921-86-6
• Molecular Formula: C19H11 N3 O4
• Molecular Weight: 345.314
• Hs Code.: 2933990090
• European Community (EC) Number: 280-064-6
• DSSTox Substance ID: DTXSID701003002
• Nikkaji Number: J283.129E
• Wikidata: Q82997384
• Mol file: 82921-86-6.mol

Synonyms:3,8-Dinitro-6-phenylphenanthridine;82921-86-6;Phenanthridine,3,8-dinitro-6-phenyl-;3,8-DINITRO-6-PHENYL-PHENANTHRIDINE;EINECS 280-064-6;Phenathridine, 3,8-dinitro-6-phenyl-;SCHEMBL7043407;C19H11N3O4;DTXSID701003002;BCP34102;AKOS003368187;AKOS015916663;C19-H11-N3-O4;AS-63000;3,8-Dinitro-6-phenylphenanthridine, 98%;FT-0667588;D95983;AN-584/43342893

Chemical Property of 3,8-Dinitro-6-phenylphenanthridine

Chemical Property:

• Vapor Pressure: 1.49E-12mmHg at 25°C
• Melting Point: 272-274℃
• Boiling Point: 573.3°C at 760 mmHg
• PKA: -0.32±0.30(Predicted)
• Flash Point: 300.5°C
• PSA: 104.53000
• Density: 1.439g/cm³
• LogP: 5.91780
• Solubility.: DMSO
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 345.07495584
• Heavy Atom Count: 26
• Complexity: 540

Purity/Quality:

99% ^*data from raw suppliers

3,8-Dinitro-6-phenyl-phenanthridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=N2)[N+](=O)[O-])[N+](=O)[O-]
• Uses: 3,8-Dinitro-6-phenyl-phenanthridine (cas# 82921-86-6) is a compound useful in organic synthesis.

Technology Process of 3,8-Dinitro-6-phenylphenanthridine

There total 10 articles about 3,8-Dinitro-6-phenylphenanthridine 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: 73.0%

4,4'-dinitro-2-biphenylamine (51787-75-8) + Benzotrichlorid (98-07-7) → 3,8-dinitro-6-phenylphenanthridine (82921-86-6)

Guidance literature:

With tin(IV) chloride; In nitrobenzene;

DOI:10.1134/S107042721109014X

Reference yield:

2-phenylaniline (90-41-5) → 3,8-dinitro-6-phenylphenanthridine (82921-86-6)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid; nitric acid / -5 °C

2: chlorobenzene

3: phosphoryl chloride; nitrobenzene

With sulfuric acid; nitric acid; nitrobenzene; chlorobenzene; trichlorophosphate;

Reference yield:

biphenyl (92-52-4,1594-86-1) → 3,8-dinitro-6-phenylphenanthridine (82921-86-6)

Guidance literature:

Multi-step reaction with 4 steps

1: nitric acid / tetrachloromethane

2: hydrogen / ethanol / 60 °C / 22052.2 Torr

3: sulfuric acid; potassium nitrate

4: tin(IV) chloride / nitrobenzene

With sulfuric acid; hydrogen; nitric acid; tin(IV) chloride; potassium nitrate; In tetrachloromethane; ethanol; nitrobenzene;

DOI:10.1134/S107042721109014X

upstream raw materials:

N-(4,4'-dinitro-biphenyl-2-yl)-benzamidine

benzamido-2 dinitro-4,4' biphenyle

4,4'-dinitro-2-biphenylamine

Benzotrichlorid

Downstream raw materials:

3,8-dinitro-5-ethyl-6-phenylphenanthridinium ethyl sulfate

3,8-diamino-5-ethyl-6-phenylphenanthridinium ethyl sulfate

ethidium Bromide

bis(ethoxycarbonylamino)-3,8 phenyl-6 phenanthridine

Refernces