4-Nitrocarbazole

Base Information

• Chemical Name: 4-Nitrocarbazole
• CAS No.: 57905-76-7
• Molecular Formula: C12H8 N2 O2
• Molecular Weight: 212.208
• DSSTox Substance ID: DTXSID40206625
• Nikkaji Number: J524.457I
• Wikidata: Q72494564
• ChEMBL ID: CHEMBL354306
• Mol file: 57905-76-7.mol

Synonyms:4-Nitro-9H-carbazole;4-Nitrocarbazole;57905-76-7;CCRIS 6502;CHEMBL354306;SCHEMBL3433685;DTXSID40206625;A853248

Chemical Property of 4-Nitrocarbazole

Chemical Property:

• Vapor Pressure: 8.12E-08mmHg at 25°C
• Boiling Point: 448.6°Cat760mmHg
• Flash Point: 225.1°C
• PSA: 61.61000
• Density: 1.435g/cm³
• LogP: 3.75250
• XLogP3: 3.7
• 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:

99% ^*data from raw suppliers

4-nitro-9H-Carbazole 97.00% ^*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 4-Nitrocarbazole

There total 4 articles about 4-Nitrocarbazole 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: 75.0%

2-azido-3-nitrobiphenyl (118987-65-8) → 4-Nitro-9H-carbazole (57905-76-7)

Guidance literature:

With boron trifluoride; In benzene; at 50 ℃; for 6h;

DOI:10.1039/P19880002615

Reference yield: 72.0%

1-nitro-2-(2-nitrophenyl)benzene (2436-96-6) → 4-Nitro-9H-carbazole (57905-76-7)

Guidance literature:

With triethyl phosphite; at 150 ℃; for 2h; Temperature;

Reference yield:

2-Chloronitrobenzene (88-73-3) → 4-Nitro-9H-carbazole (57905-76-7)

Guidance literature:

Multi-step reaction with 2 steps

1: copper / 10 h / 200 °C

2: triethyl phosphite / 2 h / 150 °C

With copper; triethyl phosphite;

upstream raw materials:

5-nitro-1,2,3,4-tetrahydro-9H-carbazole

2-azido-3-nitrobiphenyl

2-Chloronitrobenzene

1-nitro-2-(2-nitrophenyl)benzene

Downstream raw materials:

4-aminocarbazole

4-bromo-9H-carbazole

Refernces

• 1、 -. "Synthetic method of 4-bromocarbazole". . . Retrieved 2019/02/04.