3-chloro-2-phenyl-1H-inden-1-one

Base Information

• Chemical Name: 3-chloro-2-phenyl-1H-inden-1-one
• CAS No.: 40920-46-5
• Molecular Formula: C15H9ClO
• Molecular Weight: 240.6844
• DSSTox Substance ID: DTXSID60382819
• Nikkaji Number: J1.711.895A
• Wikidata: Q82174268
• Mol file: 40920-46-5.mol

Synonyms:3-chloro-2-phenyl-1H-inden-1-one;SCHEMBL13116693;DTXSID60382819;2-Phenyl-3-chloro-1H-indene-1-one;40920-46-5

Chemical Property of 3-chloro-2-phenyl-1H-inden-1-one

Chemical Property:

• Vapor Pressure: 2.82E-06mmHg at 25°C
• Boiling Point: 389.6°C at 760 mmHg
• Flash Point: 205.6°C
• Density: 1.32g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 240.0341926
• Heavy Atom Count: 17
• Complexity: 352

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)Cl

Technology Process of 3-chloro-2-phenyl-1H-inden-1-one

There total 16 articles about 3-chloro-2-phenyl-1H-inden-1-one 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: 88.0%

phenindione (83-12-5) → 3-chloro-2-phenyl-1-indenone (40920-46-5)

Guidance literature:

With trichlorophosphate; for 4h; Heating;

DOI:10.1002/jhet.5570390119

Reference yield:

3-amino-2-phenyl-1H-inden-1-one (1947-47-3) → 3-chloro-2-phenyl-1-indenone (40920-46-5)

Guidance literature:

With nitrosylchloride;

DOI:10.1021/ja01082a030

Reference yield:

3,3-dichloro-1,2-diphenylprop-2-en-1-one (40920-42-1) → 3-chloro-2-phenyl-1-indenone (40920-46-5)

Guidance literature:

With aluminium trichloride; In nitromethane; at 95 - 100 ℃; for 2h;

upstream raw materials:

ethyl 2,3-diphenyl-3-oxopropanoate

3,3-dichloro-1,2-diphenylprop-2-en-1-one

3,3-dichloro-2-phenylacryloyl chloride

benzene

Downstream raw materials:

3-aziridino-2-phenyl-1-indenone

3a,8a-dihydro-3a-chloro-8a-phenylindeno<2,1-c>pyrazol<1H>-8-one

1-oxo-2-phenyl-1H-indene-3-carbonitrile

3-chloro-2-phenyl-1-indenethione