1-Chloro-9H-carbazole

Base Information

• Chemical Name: 1-Chloro-9H-carbazole
• CAS No.: 5599-70-2
• Molecular Formula: C12H8ClN
• Molecular Weight: 201.655
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID001314919
• Nikkaji Number: J848.319A
• Mol file: 5599-70-2.mol

Synonyms:1-Chloro-9H-carbazole;5599-70-2;1-chlorocarbazole;chlorocarbazole;SCHEMBL7648211;DTXSID001314919;MFCD18450171;AKOS030632926;DS-19763;CS-0043183;C75630;A913762;InChI=1/C12H8ClN/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7,14

Chemical Property of 1-Chloro-9H-carbazole

Chemical Property:

• Melting Point: 125 °C
• Boiling Point: 388.7±15.0 °C(Predicted)
• PKA: 16.16±0.30(Predicted)
• PSA: 15.79000
• Density: 1.363±0.06 g/cm3(Predicted)
• LogP: 3.97450
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 201.0345270
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(N2)C(=CC=C3)Cl

Technology Process of 1-Chloro-9H-carbazole

There total 3 articles about 1-Chloro-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:

1-(carbazol-9-yl)-2,4,6-trimethylpyridinium tetrafluoroborate → 2,4,6-trimethyl-pyridine (108-75-8) + 1-chlorocarbazole (5599-70-2) + 3-chloro-9H-carbazole (2732-25-4)

Guidance literature:

With tetrabutyl-ammonium chloride; In acetonitrile; Kinetics; Flash photolysis;

DOI:10.1021/jo0708184

Reference yield:

N-chlorocarbazole (105598-33-2) → 1,6-dichlorocarbazole (64389-47-5) + 1-chlorocarbazole (5599-70-2) + 3,6-dichloro-9H-carbazole (5599-71-3) + 9H-carbazole (86-74-8,105184-46-1,97960-57-1)

Guidance literature:

In methanol; at 39 ℃;

DOI:10.1002/jhet.5570340327

Reference yield:

N-chlorocarbazole (105598-33-2) → 1,6-dichlorocarbazole (64389-47-5) + 1-chlorocarbazole (5599-70-2) + 3-chloro-9H-carbazole (2732-25-4) + 3,6-dichloro-9H-carbazole (5599-71-3) + 9H-carbazole (86-74-8,105184-46-1,97960-57-1)

Guidance literature:

In methanol; dichloromethane; for 1h; Product distribution; Mechanism; Heating; var. times, also in the presence of acid or basic reaction partner;

DOI:10.1021/jo00378a002

upstream raw materials:

N-chlorocarbazole

Downstream raw materials:

9H-carbazole

1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole