3-(3,5-Dichlorophenyl)propanoic acid

Base Information

• Chemical Name: 3-(3,5-Dichlorophenyl)propanoic acid
• CAS No.: 95333-95-2
• Molecular Formula: C9H8 Cl2 O2
• Molecular Weight: 219.067
• Hs Code.: 2916399090
• European Community (EC) Number: 625-408-1
• DSSTox Substance ID: DTXSID70356061
• Nikkaji Number: J2.410.631D
• Wikidata: Q82135197
• Mol file: 95333-95-2.mol

Synonyms:3-(3,5-dichlorophenyl)propanoic acid;95333-95-2;3-(3,5-DICHLORO-PHENYL)-PROPIONIC ACID;3-(3,5-Dichlorophenyl)propionic acid;benzenepropanoic acid, 3,5-dichloro-;MFCD04037332;3,5-Dichloro-benzenepropanoic acid;3-(3,5-Dichlorophenyl)propanoicacid;3-(3',5'-dichlorophenyl)propanoic acid;SCHEMBL1249170;DTXSID70356061;GQICJNXGCGRFBA-UHFFFAOYSA-N;VDA33395;AKOS005217769;3-(3,5-di-chlorophenyl)propionic acid;3-(3,5-Dichloro-phenyl)-propionicacid;3-(3,5-dichlorophenyl)-propionic acid;AS-37655;SY139235;3-[3,5-bis(chloranyl)phenyl]propanoic acid;CS-0063162;3-(3,5-Dichlorophenyl)propionic acid, 97%;EN300-110181;A845279;AJ-087/41885624;F2167-9451;Z452430960

Chemical Property of 3-(3,5-Dichlorophenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 4.33E-05mmHg at 25°C
• Melting Point: 56-60 °C
• Refractive Index: 1.572
• Boiling Point: 336.6°Cat760mmHg
• Flash Point: 157.4°C
• PSA: 37.30000
• Density: 1.392g/cm³
• LogP: 3.01060
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 217.9901349
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)CCC(=O)O
• Uses: 3-(3,5-Dichloro-phenyl)-propionic acid

Technology Process of 3-(3,5-Dichlorophenyl)propanoic acid

There total 5 articles about 3-(3,5-Dichlorophenyl)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: 100.0%

5-(3,5-dichloro-benzyl)-2,2-dimethyl-[1,3]dioxane-4,6-dione (923977-11-1) → 3-(3',5'-dichlorophenyl)propanoic acid (95333-95-2)

Guidance literature:

With water; In acetonitrile; at 120 ℃; for 0.5h; microwave irradiation;

DOI:10.1016/j.tet.2006.10.065

Reference yield: 95.0%

3-(3,5-dichlorophenyl)-2-propenoic acid (20595-53-3,90418-21-6) → 3-(3',5'-dichlorophenyl)propanoic acid (95333-95-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; for 5h; under 2585.7 Torr;

DOI:10.1021/jm00386a008

Reference yield:

C11H10Cl2O2 → 3-(3',5'-dichlorophenyl)propanoic acid (95333-95-2)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 20 ℃;

upstream raw materials:

3-(3,5-dichlorophenyl)-2-propenoic acid

5-(3,5-dichloro-benzyl)-2,2-dimethyl-[1,3]dioxane-4,6-dione

3,5-dichlorobenzaldehyde

3,5-dichloro-cis-cinnamic acid