4-Fluorosalicylic acid

Base Information

• Chemical Name: 4-Fluorosalicylic acid
• CAS No.: 345-29-9
• Molecular Formula: C7H5FO3
• Molecular Weight: 156.113
• Hs Code.: 29182900
• European Community (EC) Number: 206-459-5
• NSC Number: 109099
• DSSTox Substance ID: DTXSID80188057
• Nikkaji Number: J193.796K
• Wikidata: Q72477023
• ChEMBL ID: CHEMBL1650626
• Mol file: 345-29-9.mol

Synonyms:4-Fluoro-2-hydroxybenzoic Acid;345-29-9;4-Fluorosalicylic acid;2-hydroxy-4-fluorobenzoic acid;4-fluorosalicyclic acid;4-fluoro-2-hydroxy-benzoic acid;Benzoic acid, 4-fluoro-2-hydroxy-;EINECS 206-459-5;MFCD00153168;4-Fluorosalicylicacid,98%;4-FLUORO-2-HYDROXYBENZOICACID;Fluorohydroxybenzoicacid5;SCHEMBL188203;4-Fluorosalicylic acid, 96%;CHEMBL1650626;2-hydroxy-4-fluoro-benzoic acid;4-fluoro-2-hydroxy benzoic acid;DTXSID80188057;BBL100834;CL8118;NSC109099;STL554628;AKOS005255687;AC-3961;CS-W008186;FS-1263;NSC 109099;NSC-109099;SY012802;AM20060124;F0637;FT-0618562;EN300-56429;A20008;Q-200468;Z854336256

Chemical Property of 4-Fluorosalicylic acid

Chemical Property:

• Melting Point: 170 °C (dec.)(lit.)
• Refractive Index: 1.513
• Boiling Point: 300.5 °C at 760 mmHg
• PKA: 2.85±0.10(Predicted)
• Flash Point: 135.6 °C
• PSA: 57.53000
• Density: 1.492 g/cm³
• LogP: 1.22950
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Soluble in methanol.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 156.02227218
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

98% ^*data from raw suppliers

4-Fluoro-2-hydroxybenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)O)C(=O)O
• Uses: 4-Fluorosalicylic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 4-Fluorosalicylic acid

There total 19 articles about 4-Fluorosalicylic 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%

methyl 4-fluoro-2-hydroxybenzoate (392-04-1) → 4-fluorosalicylic acid (345-29-9)

Guidance literature:

With barium dihydroxide; In methanol; at 80 ℃; for 2h;

DOI:10.1055/s-2004-832828

Reference yield: 95.1%

2,4-difluoro-benzoic acid (1583-58-0) → 4-fluorosalicylic acid (345-29-9)

Guidance literature:

With 1,3-dimethyl-2-imidazolidinone; sodium hydroxide; at 130 ℃; for 4h;

DOI:10.1016/S0022-1139(02)00342-1

Reference yield: 95.0%

3-chloro-4-fluoro-2-hydroxybenzoic acid (860296-14-6) → 4-fluorosalicylic acid (345-29-9)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; at 25 ℃; for 20h;

DOI:10.1002/ejoc.200400895

upstream raw materials:

methyl 4-fluoro-2-hydroxybenzoate

4-fluoro-2-methoxy-benzoic acid

4-fluoro-2-iodobenzoic acid

4-Aminosalicylic acid

Downstream raw materials:

methyl 4-fluoro-2-methoxybenzoate

methyl 4-fluoro-2-hydroxybenzoate

4-fluoro-2-hydroxy-benzoic acid isopropyl ester

benzyl 2-(benzyloxy)-4-fluorobenzoate

Refernces

• 1、 -. "INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF". Paragraph 00266. . Retrieved 2019/08/29.
• 2、 -. "TRIAZOLE DERIVATIVES AS HSP90 INHIBITORS". Paragraph 00393; 00407; 00417. . Retrieved 2013/10/21.