3-(3,4,5-Trifluorophenyl)propanoic acid

Base Information

• Chemical Name: 3-(3,4,5-Trifluorophenyl)propanoic acid
• CAS No.: 886499-50-9
• Molecular Formula: C₉H₇F₃O₂
• Molecular Weight: 204.149
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID40590692
• Wikidata: Q82484330
• Mol file: 886499-50-9.mol

Synonyms:886499-50-9;3-(3,4,5-trifluorophenyl)propanoic acid;3-(3,4,5-TRIFLUOROPHENYL)PROPIONIC ACID;SCHEMBL584290;DTXSID40590692;MFCD06660216;AKOS012350024;3-(3,4,5-trifluorophenyl)propanoicacid;AS-55152;CS-0326062;EN300-244196;Y10266;A842811;Z1080514026

Chemical Property of 3-(3,4,5-Trifluorophenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 0.00352mmHg at 25°C
• Boiling Point: 269.7°C at 760 mmHg
• Flash Point: 116.9°C
• PSA: 37.30000
• Density: 1.398g/cm³
• LogP: 2.12110
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 204.03981395
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

3-(3,4,5-Trifluorophenyl)propionic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)F)F)CCC(=O)O

Technology Process of 3-(3,4,5-Trifluorophenyl)propanoic acid

There total 2 articles about 3-(3,4,5-Trifluorophenyl)propanoic acid 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: 99.0%

→ 3-(3,4,5-trifluorophenyl)propanoic acid (886499-50-9)

Guidance literature:

Reference yield:

C14H15F3O4 → 3-(3,4,5-trifluorophenyl)propanoic acid (886499-50-9)

Guidance literature:

C₁₄H₁₅F₃O₄; With water; potassium hydroxide; for 3h; Reflux;

With sulfuric acid; In water; for 5h; Reflux;

DOI:10.1016/j.tet.2010.09.055

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