1-Nitro-9H-carbazole

Base Information

• Chemical Name: 1-Nitro-9H-carbazole
• CAS No.: 31438-22-9
• Molecular Formula: C12H8 N2 O2
• Molecular Weight: 212.208
• Hs Code.: 2933990090
• NSC Number: 88018
• DSSTox Substance ID: DTXSID00953461
• Nikkaji Number: J524.455B
• Wikidata: Q72494560
• Mol file: 31438-22-9.mol

Synonyms:1-nitro-9H-carbazole

Chemical Property of 1-Nitro-9H-carbazole

Chemical Property:

• Vapor Pressure: 8.12E-08mmHg at 25°C
• Melting Point: 195℃ (ethanol )
• Boiling Point: 448.6°Cat760mmHg
• PKA: 14.66±0.30(Predicted)
• Flash Point: 225.1°C
• PSA: 61.61000
• Density: 1.435g/cm³
• LogP: 3.75250
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 212.058577502
• Heavy Atom Count: 16
• Complexity: 289

Purity/Quality:

98%min ^*data from raw suppliers

1-Nitro-9H-carbazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(N2)C(=CC=C3)[N+](=O)[O-]

Technology Process of 1-Nitro-9H-carbazole

There total 15 articles about 1-Nitro-9H-carbazole 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: 63.0%

9-acetylcarbazole (574-39-0) → 1-nitro-9H-carbazole (31438-22-9) + 1-(3-nitrocarbazol-9-yl)ethanone (89672-04-8) + 3,6-dinitro-9H-carbazole (3244-54-0)

Guidance literature:

With ammonium cerium(IV) nitrate; silica gel; In acetonitrile; for 32h; Heating;

DOI:10.1080/00397919408012618

Reference yield: 47.0%

9-nitro-9H-carbazole (31438-20-7) → 3-Nitro-carbazol (3077-85-8) + 1-nitro-9H-carbazole (31438-22-9)

Guidance literature:

With lithium hydride; In tetrahydrofuran; for 3h; Heating;

Reference yield: 34.0%

9H-carbazole (86-74-8,105184-46-1,97960-57-1) → 1-nitro-9H-carbazole (31438-22-9) + 3,6-dinitro-9H-carbazole (3244-54-0) + 1,6-dinitrocarbazole (3062-57-5)

Guidance literature:

With nitric acid; acetic acid; at 90 - 100 ℃; for 2h;

DOI:10.1021/jo801132w

upstream raw materials:

9H-carbazole

9-acetylcarbazole

9-nitroso-9H-carbazole

3-nitrosocarbazole

Downstream raw materials:

C₆₀H₄₄N₄Si₂

N-(9H-carbazol-1-yl)-4-methoxybenzenesulfonamide

3,6-dibromo-9-methyl-1-nitro-carbazole

9-phenyl-9H-carbazol-1-amine

Refernces

• 1、 Mudadu, Maria S.,Singh, Ajay N.,Thummel, Randolph P.. "Preparation and study of 1,8-di(pyrid-2′-yl)carbazoles". . p. 6513 - 6520. Retrieved 2008/12/22.
• 2、 Deady,Sette. "Lithiation of pivaloylamino derivatives of dibenzofuran and 9-methylcarbazole". . p. 177 - 180. Retrieved 2007/10/03.