5H-Benzo[b]phosphindole, 5-phenyl-, 5-sulfide

Base Information

• Chemical Name: 5H-Benzo[b]phosphindole, 5-phenyl-, 5-sulfide
• CAS No.: 33771-54-9
• Molecular Formula: C18H13PS
• Molecular Weight: 292.33500
• DSSTox Substance ID: DTXSID90415987
• Nikkaji Number: J2.280.635A,J2.531.731I
• Wikidata: Q82225091

Synonyms:5H-Benzo[b]phosphindole, 5-phenyl-, 5-sulfide;33771-54-9;SCHEMBL17951463;DTXSID90415987;5-Phenyl-5H-dibenzophosphole-5-thione;5-Phenyl-5H-dibenzophosphole 5-sulfide;InChI=1/C18H13PS/c20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13

Chemical Property of 5H-Benzo[b]phosphindole, 5-phenyl-, 5-sulfide

Chemical Property:

• Melting Point: 183-185 °C(Solv: dichloromethane (75-09-2); methanol (67-56-1))
• Boiling Point: 480.0±28.0 °C(Predicted)
• PSA: 41.90000
• Density: 1.30±0.1 g/cm3(Predicted)
• LogP: 4.07340
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 292.04755859
• Heavy Atom Count: 20
• Complexity: 372

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)P2(=S)C3=CC=CC=C3C4=CC=CC=C24

Technology Process of 5H-Benzo[b]phosphindole, 5-phenyl-, 5-sulfide

There total 3 articles about 5H-Benzo[b]phosphindole, 5-phenyl-, 5-sulfide 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:

9-phenyl-9-phosphafluorene (1088-00-2) → 5-phenyl-5H-benzo[b]phosphindole 5-sulfide (33771-54-9)

Guidance literature:

With carbon disulfide;

DOI:10.1007/BF00905660

Reference yield:

phenylmagnesium bromide → 5-phenyl-5H-benzo[b]phosphindole 5-sulfide (33771-54-9)

Guidance literature:

Multi-step reaction with 2 steps

2: sulfur

With sulfur;

Reference yield:

9-Chlorodibenzophosphole (33300-85-5) → 5-phenyl-5H-benzo[b]phosphindole 5-sulfide (33771-54-9)

Guidance literature:

Multi-step reaction with 2 steps

2: sulfur

With sulfur;

upstream raw materials:

9-phenyl-9-phosphafluorene

9-Chlorodibenzophosphole

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