3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide

Base Information

• Chemical Name: 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide
• CAS No.: 81078-23-1
• Molecular Formula: C16H12ClNO
• Molecular Weight: 269.7256
• DSSTox Substance ID: DTXSID50230875
• Mol file: 81078-23-1.mol

Synonyms:8-Chloro-1-phenyl-3H-2-benzazepine 2-oxide;3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide;81078-23-1;8-Chlor-1-phenyl-3H-2-benzazepin-2-oxid [German];8-Chlor-1-phenyl-3H-2-benzazepin-2-oxid;SCHEMBL11002777;DTXSID50230875;MMAZIPBCTHYOBH-UHFFFAOYSA-N;LS-27977;8-Chloro-1-phenyl-3H-2-benzazepine-2-oxide

Chemical Property of 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide

Chemical Property:

• Vapor Pressure: 9.36E-08mmHg at 25°C
• Boiling Point: 446.8°Cat760mmHg
• Flash Point: 224°C
• PSA: 28.75000
• Density: 1.28g/cm³
• LogP: 3.67330
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 269.0607417
• Heavy Atom Count: 19
• Complexity: 384

Purity/Quality:

99% ^*data from raw suppliers

8-CHLORO-1-PHENYL-3H-2-BENZAZEPINE 2-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3

Technology Process of 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide

There total 2 articles about 3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide 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: 92.0%

8-chloro-1-phenyl-3H-2-benzazepine hydrobromide (101713-14-8) → 8-chloro-1-phenyl-3H-2-benzazepine 2-oxide (81078-23-1)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 1.5h; Ambient temperature;

DOI:10.1021/jo00362a007

Reference yield:

8-chloro-1-phenyl-3H-2-benzazepine (81078-22-0) + 3-chloro-benzenecarboperoxoic acid (937-14-4) → 8-chloro-1-phenyl-3H-2-benzazepine 2-oxide (81078-23-1)

Guidance literature:

In dichloromethane;

upstream raw materials:

8-chloro-1-phenyl-3H-2-benzazepine hydrobromide

8-chloro-1-phenyl-3H-2-benzazepine

3-chloro-benzenecarboperoxoic acid