2,3,4,5-Tetrafluorobenzoic acid

Base Information

• Chemical Name: 2,3,4,5-Tetrafluorobenzoic acid
• CAS No.: 1201-31-6
• Molecular Formula: C7H2F4O2
• Molecular Weight: 194.085
• Hs Code.: 29163990
• NSC Number: 168728
• DSSTox Substance ID: DTXSID80304992
• Nikkaji Number: J106.002C
• Wikidata: Q72505080
• Mol file: 1201-31-6.mol

Synonyms:2,3,4,5-tetra FBA;2,3,4,5-tetrafluorobenzoic acid

Chemical Property of 2,3,4,5-Tetrafluorobenzoic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Melting Point: 85-87 °C(lit.)
• Boiling Point: 239.2 °C at 760 mmHg
• PKA: 2.53±0.10(Predicted)
• Flash Point: 98.5 °C
• PSA: 37.30000
• Density: 1.633 g/cm³
• LogP: 1.94120
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 193.99909195
• Heavy Atom Count: 13
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

2,3,4,5-Tetrafluorobenzoic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1F)F)F)F)C(=O)O
• Uses: 2,3,4,5-Tetrafluorobenzoic Acid is used in the synthesis of diterpenoid analogs as antitumor compounds. Also used in the synthesis of novel quinoline lactones.

Technology Process of 2,3,4,5-Tetrafluorobenzoic acid

There total 31 articles about 2,3,4,5-Tetrafluorobenzoic 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: 97.2%

3,4,5,6-tetrafluorophthalic acid (652-03-9) → 2,3,4,5-tetrafluorobenzoic acid (1201-31-6)

Guidance literature:

With ammonium hydroxide; at 180 ℃; for 2.5h; Autoclave; Green chemistry;

Reference yield: 94.0%

dibutyl ether (142-96-1) + 3,4,5,6-tetrafluorophthalic acid (652-03-9) → 2,3,4,5-tetrafluorobenzoic acid (1201-31-6)

Guidance literature:

With sulfuric acid; dimethyl sulfoxide; triethylamine; In water; toluene;

Reference yield: 92.0%

methyl-2,3,4,5-tetrafluoro benzoate (5292-42-2) → 2,3,4,5-tetrafluorobenzoic acid (1201-31-6)

Guidance literature:

With sulfuric acid; In water;

upstream raw materials:

2,3,4,5-tetrafluorobenzaldehyde

2,3-Bis--1,4,5,6,7,7,8,8-octafluor-bicyclo<2.2.2>octadien-(2,5)

2,3,4,5-tetrafluorobenzamide

carbon dioxide

Downstream raw materials:

2-bromo-3,4,5,6-tetrafluorobenzoic acid

ethyl 2,3,4,5-tetrafluorobenzenecarboxylate

2,3,4,5-tetrafluorobenzoyl chloride

3,4,5-trifluoro-2-hydroxybenzoic acid

Refernces

• 1、 Fu, Jie,Mo, Jing,Zhang, Jing,Lu, Xiuyang. "Decarboxylation of tetrafluorophthalic acid in NH3-enriched high temperature liquid water". . p. 10 - 15. Retrieved 2016.
• 2、 Li, Hua,Wang, Hongkai,Zhao, Ruiju,Liu, Juan,Zhao, Zhengui,Hu, Guoqin,Liang, Zhengyong. "Preparation of 2,3,4,5-tetrafluorobenzoic acid". . p. 744 - 748. Retrieved 2010.
• 3、 Chambers, Richard D.,Skinner, Christopher J.,Hutchinson, John,Thomson, Julie. "Elemental fluorine. Part 1. Synthesis of fluoroaromatic compounds". . p. 605 - 609. Retrieved 1996.
• 4、 -. "Method for preparing 2,3,4,5-tetrafluoro benzoic acid and 1,2,3,4-tetrafluorobenzene". Paragraph 0037; 0038. . Retrieved 2016/11/28.