10-Nitroanthracen-9(10h)-one

Base Information

• Chemical Name: 10-Nitroanthracen-9(10h)-one
• CAS No.: 6313-44-6
• Molecular Formula: C14H9NO3
• Molecular Weight: 239.23
• Hs Code.: 2914700090
• NSC Number: 39879
• UNII: 78B77V5ZKN
• DSSTox Substance ID: DTXSID90212473
• Nikkaji Number: J683.515E
• Wikidata: Q83087613
• Mol file: 6313-44-6.mol

Synonyms:10-nitroanthracen-9(10h)-one;6313-44-6;9-Nitroanthrone;10-nitro-10H-anthracen-9-one;10-NITROANTHRONE;78B77V5ZKN;10-nitro-9(10H)-anthracenone;NSC-39879;CCRIS 3176;NSC 39879;NSC39879;Anthrone, 10-nitro-;UNII-78B77V5ZKN;DTXSID90212473;AMY25164;9(10H)-Anthracenone, 10-nitro-;AKOS016004300;FT-0654530

Chemical Property of 10-Nitroanthracen-9(10h)-one

Chemical Property:

• Vapor Pressure: 4.54E-07mmHg at 25°C
• Melting Point: 136-138 °C
• Boiling Point: 414.2°Cat760mmHg
• PKA: 5.42±0.20(Predicted)
• Flash Point: 205.5°C
• PSA: 62.89000
• Density: 1.37g/cm³
• LogP: 3.12030
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 239.058243149
• Heavy Atom Count: 18
• Complexity: 337

Purity/Quality:

97% ^*data from raw suppliers

10-Nitroanthracen-9(10H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3C2=O)[N+](=O)[O-]

Technology Process of 10-Nitroanthracen-9(10h)-one

There total 7 articles about 10-Nitroanthracen-9(10h)-one 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: 50.0%

9-acetoxy-10-nitroanthracene → 9-nitroanthrone (6313-44-6) + 9,10-phenanthrenequinone (84-65-1)

Guidance literature:

With porcine liver esterase; In aq. phosphate buffer; dimethyl sulfoxide; at 37 ℃; for 1h; pH=7.5; Reagent/catalyst; Enzymatic reaction;

DOI:10.1002/cctc.201600678

Reference yield:

9-Bromoanthracene (1564-64-3) + nitric acid (7697-37-2,78989-43-2) + acetic acid (64-19-7,77671-22-8) → 9,10-Dibromoanthracene (523-27-3) + 9-nitroanthrone (6313-44-6)

Guidance literature:

Reference yield:

anthracene (120-12-7) → 9-nitroanthracene (602-60-8) + 9-nitroanthrone (6313-44-6)

Guidance literature:

With pyridine; nitric acid; nitrobenzene; at 125 ℃;

upstream raw materials:

anthracene

9-Bromoanthracene

nitric acid

acetic acid

Downstream raw materials:

bianthrone

1,2-dihydroxy-9,10-anthracenedione