4-(3-fluorophenyl)benzoic Acid

Base Information

Chemical Name:4-(3-fluorophenyl)benzoic Acid
CAS No.:1841-58-3
Molecular Formula:C13H9FO2
Molecular Weight:216.212
Hs Code.:2916399090
European Community (EC) Number:672-178-3
DSSTox Substance ID:DTXSID40382216
Nikkaji Number:J883.029K
Wikidata:Q82173530
ChEMBL ID:CHEMBL106402
Mol file:1841-58-3.mol

Synonyms:1841-58-3;4-(3-fluorophenyl)benzoic Acid;3'-Fluorobiphenyl-4-carboxylic acid;3'-Fluoro-biphenyl-4-carboxylic acid;3'-FLUORO-[1,1'-BIPHENYL]-4-CARBOXYLIC ACID;CHEMBL106402;3'-Fluoro-[1,1'-biphenyl]-4-carboxylicacid;3'-fluoro[1,1'-biphenyl]-4-carboxylic acid;3/'-FLUORO-BIPHENYL-4-CARBOXYLIC ACID;SCHEMBL505269;DTXSID40382216;SJIIGBFXZWSXJP-UHFFFAOYSA-N;BDBM50060991;MFCD03424609;4-biphenyl-3'-fluoro-carboxylic acid;AKOS004119217;3''-Fluoro-biphenyl-4-carboxylic acid;AB14557;AS-2115;3'-FLUORO-4-BIPHENYLCARBOXYLIC ACID;A4075;A4076;BB 0222377;CS-0171123;FT-0633877;3'-Fluorobiphenyl-4-carboxylic acid, AldrichCPR;4-BIPHENYL-3'-FLUORO-CARBOXYLIC ACID

Suppliers and Price of 4-(3-fluorophenyl)benzoic Acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3′-Fluorobiphenyl-4-carboxylic acid
1g
$ 65.00

SynQuest Laboratories
3'-Fluoro[1,1'-biphenyl]-4-carboxylic acid
25 g
$ 560.00

SynQuest Laboratories
3'-Fluoro[1,1'-biphenyl]-4-carboxylic acid
5 g
$ 200.00

Sigma-Aldrich
3′-Fluorobiphenyl-4-carboxylic acid Aldrich
1g
$ 83.50

Rieke Metals
3′-Fluorobiphenyl-4-carboxylic acid
5g
$ 1943.00

Rieke Metals
3′-Fluorobiphenyl-4-carboxylic acid
1g
$ 809.00

Matrix Scientific
3'-Fluoro-biphenyl-4-carboxylic acid >95%
500mg
$ 70.00

Matrix Scientific
3'-Fluoro-biphenyl-4-carboxylic acid >95%
1g
$ 94.00

Matrix Scientific
3'-Fluoro-biphenyl-4-carboxylic acid >95%
5g
$ 275.00

Crysdot
3'-Fluoro-[1,1'-biphenyl]-4-carboxylicacid 97%
100g
$ 641.00

Total 22 raw suppliers

Chemical Property of 4-(3-fluorophenyl)benzoic Acid

Chemical Property:

Melting Point:241-243°C
Boiling Point:373.5 °C at 760 mmHg
PKA:4.10±0.10(Predicted)
Flash Point:179.7 °C
PSA：37.30000
Density:1.261 g/cm³
LogP:3.19090
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:216.05865769
Heavy Atom Count:16
Complexity:246

Purity/Quality:

97% ^*data from raw suppliers

3′-Fluorobiphenyl-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi,Xn
Statements: 36/37/38-22
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)F)C2=CC=C(C=C2)C(=O)O
Uses 3''-Fluorobiphenyl-4-carboxylic Acid acts as a reagent in the synthesis of benzoic acid and biphenyl imidazole derivatives with antifungal activities.

Technology Process of 4-(3-fluorophenyl)benzoic Acid

There total 7 articles about 4-(3-fluorophenyl)benzoic 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:

: 2367-22-8
3-fluorobiphenyl

: 1841-58-3
3′-fluoro-(1,1′-biphenyl)-4-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: AlCl₃ / CS₂

2: aq. NaOBr / dioxane

With aluminium trichloride; sodium hypobromide; In 1,4-dioxane; carbon disulfide;
DOI:10.1039/j39660000840

Reference yield:

: 586-76-5
4-Bromobenzoic acid

: 768-35-4
3-fluorophenylboronic acid

: 1841-58-3
3′-fluoro-(1,1′-biphenyl)-4-carboxylic acid

Guidance literature:: With dmap; tetrakis(triphenylphosphine) palladium⁽⁰⁾; dicyclohexyl-carbodiimide; trifluoroacetic acid; Wang resin; Multistep reaction;
DOI:10.1021/jm9703404