4-Fluoro-3-phenoxybenzoic acid

Base Information

• Chemical Name: 4-Fluoro-3-phenoxybenzoic acid
• CAS No.: 77279-89-1
• Molecular Formula: C13H9 F O3
• Molecular Weight: 232.211
• Hs Code.: 2918990090
• European Community (EC) Number: 824-489-2
• UNII: Z2KNN3JH97
• DSSTox Substance ID: DTXSID00228005
• Nikkaji Number: J654.528I
• Wikidata: Q83107870
• Metabolomics Workbench ID: 87160
• Mol file: 77279-89-1.mol

Synonyms:4-Fluoro-3-phenoxybenzoic acid;77279-89-1;Benzoic acid, 4-fluoro-3-phenoxy-;Z2KNN3JH97;4-FLUORO-3-PHENOXY BENZOIC ACID;C13H9FO3;beta-cyfluthrin TP1;UNII-Z2KNN3JH97;4-Fluoro-3-phenoxybenzoicacid;SCHEMBL979843;4-luoro-3-phenoxybenzoic acid;4-Fluoro-3-phenoxy-benzoic acid;DTXSID00228005;CHEBI:165196;C13-H9-F-O3;BBL034525;MFCD03617287;STL387880;AKOS015918257;FLUORO-3-PHENOXYBENZOIC ACID, 4-;VS-12572;4-Fluoro-3-phenoxy benzoic acid 100 microg/mL in Acetonitrile

Chemical Property of 4-Fluoro-3-phenoxybenzoic acid

Chemical Property:

• Vapor Pressure: 1.56E-05mmHg at 25°C
• Melting Point: 99-100 °C
• Boiling Point: 351.1°C at 760 mmHg
• PKA: 3.89±0.10(Predicted)
• Flash Point: 166.2°C
• PSA: 46.53000
• Density: 1.313g/cm³
• LogP: 3.31620
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 232.05357231
• Heavy Atom Count: 17
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-3-phenoxybenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=C(C=CC(=C2)C(=O)O)F
• Uses: 4-Fluoro-3-phenoxybenzoic Acid is part of the group of pyrethroid pesticides. Pyrethroid pesticides are commonly used in tropical regions such as the Caribbean as household insecticides, pet sprays, and where malaria is endemic, impregnated into mosquito-repellent nets.

Technology Process of 4-Fluoro-3-phenoxybenzoic acid

There total 4 articles about 4-Fluoro-3-phenoxybenzoic 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%

4-fluoro-3-phenoxybenzaldehyde (68359-57-9) → 4-fluoro-3-phenoxy benzoic acid (77279-89-1)

Guidance literature:

With dihydrogen peroxide; acetic acid; In ethanol; for 4h; Heating;

DOI:10.1080/713744567

Reference yield: 32.0%

4-fluoro-3-hydroxybenzoic acid (51446-31-2) + phenylboronic acid (98-80-6) → 4-fluoro-3-phenoxy benzoic acid (77279-89-1)

Guidance literature:

With 4 A molecular sieve; TEA; copper (I) acetate; In dichloromethane; at 20 ℃; for 48h;

DOI:10.1021/jm049141s

Reference yield:

cis-α-cyano-3-phenoxy-4-fluoro-benzyl-2,2-dimethyl-3-(2-chlorovinyl)cyclopropane-carboxylate → 3-Methylbutenoic acid (541-47-9) + 3-(2-chlorovinyl)-2,2-dimethylcyclopropane-carboxylic acid (60310-82-9) + 4-fluoro-3-phenoxybenzaldehyde (68359-57-9) + C8H11ClO + 2-(4-fluoro-3-phenoxyphenyl)-2-hydroxyethanenitrile (76783-44-3) + 4-fluoro-3-phenoxy benzoic acid (77279-89-1)

Guidance literature:

In hexane; for 17h; UV-irradiation;

DOI:10.1021/jf103908d

upstream raw materials:

4-fluoro-3-phenoxybenzaldehyde

4-fluoro-3-hydroxybenzoic acid

phenylboronic acid

Downstream raw materials:

4-fluoro-3-phenoxybenzoic acid methyl ester