9-Nitrophenanthrene

Base Information

• Chemical Name: 9-Nitrophenanthrene
• CAS No.: 954-46-1
• Molecular Formula: C14H9NO2
• Molecular Weight: 223.231
• Hs Code.: 2904209090
• UNII: 836BX38BU5
• DSSTox Substance ID: DTXSID30241823
• Nikkaji Number: J364.308E
• Wikidata: Q83125391
• ChEMBL ID: CHEMBL165527
• Mol file: 954-46-1.mol

Synonyms:9-nitrophenanthrene

Chemical Property of 9-Nitrophenanthrene

Chemical Property:

• Vapor Pressure: 1.16E-06mmHg at 25°C
• Melting Point: 116-117 °C
• Boiling Point: 413.3°Cat760mmHg
• Flash Point: 207.5°C
• PSA: 45.82000
• Density: 1.316g/cm³
• LogP: 4.42440
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 223.063328530
• Heavy Atom Count: 17
• Complexity: 299

Purity/Quality:

97% ^*data from raw suppliers

9-NITROPHENANTHRENE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)[N+](=O)[O-]

Technology Process of 9-Nitrophenanthrene

There total 14 articles about 9-Nitrophenanthrene 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: 86.0%

9-phenanthrenylboronic acid (68572-87-2) → 9-nitrophenanthrene (954-46-1)

Guidance literature:

With dipotassium peroxodisulfate; bismuth (III) nitrate pentahydrate; In benzene; at 70 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ol300325t

Reference yield:

phenanthrene (85-01-8) → 9,10-dichloroanthracene (605-48-1) + 9-chlorophenanthrene (947-72-8) + 9-nitrophenanthrene (954-46-1) + 9,10-phenanthrenequinone (84-11-7)

Guidance literature:

With Nitrogen dioxide; In tetrachloromethane; Further byproducts given. Yields of byproduct given; Irradiation;

Reference yield:

phenanthrene (85-01-8) → 9,10-dichloroanthracene (605-48-1) + 9-chlorophenanthrene (947-72-8) + 9-nitrophenanthrene (954-46-1) + 9-Chlor-10-nitrophenanthren (1506-22-5)

Guidance literature:

With Nitrogen dioxide; In tetrachloromethane; Further byproducts given; Irradiation;

upstream raw materials:

phenanthrene

nitric acid

acetic anhydride

acetic acid

Downstream raw materials:

9-Aminophenanthrene

phenanthrene-9,10-dione oxime

(E)-9-styrylphenanthrene

cis-1-phenyl-2-(9-phenanthryl)ethene

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