3-(4-Chlorophenyl)-2',5'-dimethylpropiophenone

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-2',5'-dimethylpropiophenone
• CAS No.: 898788-00-6
• Molecular Formula: C₁₇H₁₇ClO
• Molecular Weight: 272.774
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID80587864
• Wikidata: Q82480347
• Mol file: 898788-00-6.mol

Synonyms:3-(4-CHLOROPHENYL)-2',5'-DIMETHYLPROPIOPHENONE;898788-00-6;3-(4-chlorophenyl)-1-(2,5-dimethylphenyl)propan-1-one;MFCD03843474;DTXSID80587864;AKOS016021929

Chemical Property of 3-(4-Chlorophenyl)-2',5'-dimethylpropiophenone

Chemical Property:

• Vapor Pressure: 4.75E-07mmHg at 25°C
• Boiling Point: 413.6°C at 760 mmHg
• Flash Point: 243.8°C
• PSA: 17.07000
• Density: 1.124g/cm³
• LogP: 4.77230
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 272.0967929
• Heavy Atom Count: 19
• Complexity: 294

Purity/Quality:

97% ^*data from raw suppliers

3-(4-chlorophenyl)-2',5'-dimethylpropiophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C)C(=O)CCC2=CC=C(C=C2)Cl

Technology Process of 3-(4-Chlorophenyl)-2',5'-dimethylpropiophenone

There total 1 articles about 3-(4-Chlorophenyl)-2',5'-dimethylpropiophenone 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: 50.0%

para-xylene (106-42-3) + 3-(4-chlorophenyl)propanoic acid (2019-34-3) → 3-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-propanone (898788-00-6)

Guidance literature:

With dodecatungstosilic acid; Heating;

DOI:10.1080/00397910701392293

upstream raw materials:

para-xylene

3-(4-chlorophenyl)propanoic acid