2-Chloro-4-fluorobenzoic acid

Base Information

• Chemical Name: 2-Chloro-4-fluorobenzoic acid
• CAS No.: 2252-51-9
• Molecular Formula: C7H4ClFO2
• Molecular Weight: 174.559
• Hs Code.: 29163990
• European Community (EC) Number: 218-845-0
• DSSTox Substance ID: DTXSID90177038
• Nikkaji Number: J213.145E
• Wikidata: Q72450561
• Mol file: 2252-51-9.mol

Synonyms:2-Chloro-4-fluorobenzoic acid;2252-51-9;Benzoic acid, 2-chloro-4-fluoro-;MFCD00010615;2-chloro-4-fluoro-benzoic acid;2-chloro-4-fluoro benzoic acid;EINECS 218-845-0;2-Chloro-4-fluorobenzoicacid;SCHEMBL195310;2-chloro 4-fluoro benzoic acid;2-chloro-4-fluor obenzoic acid;4-fluoro-2-chloro-benzoic acid;AMY7722;DTXSID90177038;CS-D1753;STL169009;2-Chloro-4-fluorobenzoic acid, 99%;AKOS000120087;AC-3928;BS-3950;PB47601;SY005366;FT-0611760;EN300-20720;P16531;W-107468;F2191-0039;Z104480224

Chemical Property of 2-Chloro-4-fluorobenzoic acid

Chemical Property:

• Appearance/Colour: white powder or flakes
• Vapor Pressure: 0.00308mmHg at 25°C
• Melting Point: 181-183 °C(lit.)
• Boiling Point: 271.9 °C at 760 mmHg
• PKA: 2.90±0.25(Predicted)
• Flash Point: 118.2 °C
• PSA: 37.30000
• Density: 1.477 g/cm³
• LogP: 2.17730
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: 95% ethanol: soluble50mg/mL, clear to very slightly hazy, colorl
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 173.9883852
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-4-fluorobenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, Xn
• Hazard Codes: Xn,Xi
• Statements: 22-37/38-41-36/37/38
• Safety Statements: 26-36/37/39-37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)Cl)C(=O)O
• Uses: 2-Chloro-4-fluorobenzoic acid was used in the preparation of 2-(2-chloro-4-fluorophenyl)-benzothiazole.

Technology Process of 2-Chloro-4-fluorobenzoic acid

There total 8 articles about 2-Chloro-4-fluorobenzoic 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: 97.5%

4-amino-2-chlorobenzoic acid (2457-76-3) → 2-choro-4-fluorobenzoic acid (2252-51-9)

Guidance literature:

4-amino-2-chlorobenzoic acid; With dihydrogen peroxide; In water; at 40 - 50 ℃; for 3h; Ionic liquid;

With potassium fluoride; In water; at 40 - 50 ℃; for 3h; Temperature;

Reference yield: 92.0%

2-chloro-4-fluorotoluene (452-73-3) → 2-choro-4-fluorobenzoic acid (2252-51-9)

Guidance literature:

With di-tert-butyl peroxide; hydrogen bromide; oxygen; cobalt(II) acetate; manganese(II) acetate; In acetic acid; at 130 - 160 ℃; for 3h; under 15514.4 Torr;

DOI:10.1055/s-1987-28110

Reference yield: 90.8%

2-chloro-4-fluorobenzaldehyde (84194-36-5) → 2-choro-4-fluorobenzoic acid (2252-51-9)

Guidance literature:

With hydrogenchloride; sodium chlorite; In water; acetonitrile; at 0 - 80 ℃; for 1h;

upstream raw materials:

2-chloro-4-fluorotoluene

2'-chloro-4'-fluoroacetophenone

3-chlorofluorobenzene

phenyl 2-chloro-4-fluorobenzoate

Downstream raw materials:

4-fluoro-2-phenylamino-benzoic acid

N-(2-methoxyphenyl)-4-fluoroanthranilic acid

6-Fluoro-3-hydroxy-1-phenyl-1H-indole-2-carboxylic acid methyl ester

1-(6-fluoro-1-phenyl-1H-indol-3-yl)piperazine

Refernces

• 1、 -. "Chlorobenzene-pyridine compounds and application thereof". Paragraph 0099; 0101; 0102; 0103. . Retrieved 2018/04/01.
• 2、 -. "2-chloro-4-fluorobenzoic acid and preparation method thereof". Paragraph 0041-0042. . Retrieved 2017/04/03.