2,4-Dichloro-5-fluorobenzoic acid

Base Information

• Chemical Name: 2,4-Dichloro-5-fluorobenzoic acid
• CAS No.: 86522-89-6
• Molecular Formula: C7H3Cl2FO2
• Molecular Weight: 209.004
• Hs Code.: 29163990
• European Community (EC) Number: 630-106-8
• DSSTox Substance ID: DTXSID30350803
• Nikkaji Number: J243.025H
• Wikidata: Q27455328
• Mol file: 86522-89-6.mol

Synonyms:2,4-Dichloro-5-fluorobenzoicacid;

Chemical Property of 2,4-Dichloro-5-fluorobenzoic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.000237mmHg at 25°C
• Melting Point: 144-146 °C(lit.)
• Boiling Point: 311.7 °C at 760 mmHg
• PKA: 2.29±0.25(Predicted)
• Flash Point: 142.3 °C
• PSA: 37.30000
• Density: 1.606 g/cm³
• LogP: 2.83070
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 207.9494129
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

98% ^*data from raw suppliers

2,4-Dichloro-5-fluorobenzoic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)Cl)Cl)C(=O)O

Technology Process of 2,4-Dichloro-5-fluorobenzoic acid

There total 7 articles about 2,4-Dichloro-5-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: 99.9%

2,4-dichloro-5-fluoroacetophenone (704-10-9) → 2,4-dichloro-5-fluoro-benzoic acid (86522-89-6)

Guidance literature:

With oxygen; nitric acid; In water; acetic acid; at 70 ℃; for 0.15h; under 1500.15 Torr; Temperature; Time; Pressure; Catalytic behavior; Flow reactor; Industrial scale; Green chemistry;

DOI:10.1021/acs.oprd.7b00358

Reference yield: 91.0%

C13H4Cl4F2O → 2,4-dichloro-5-fluoro-benzoic acid (86522-89-6)

Guidance literature:

With potassium perchlorate; In N,N-dimethyl-formamide; Reagent/catalyst; Solvent; Reflux;

Reference yield: 66.0%

1,3-dichloro-4-fluorobenzene (1435-48-9) → 2,4-dichloro-5-fluoro-benzoic acid (86522-89-6)

Guidance literature:

upstream raw materials:

2,4-dichloro-5-fluoroacetophenone

1,3-dichloro-4-fluorobenzene

Downstream raw materials:

2,4-dichloro-5-fluorobenzoyl chloride

2,5-Bis(2,4-dichloro-5-fluorophenyl)-1,3,4-oxadiazole

2,4-dichloro-5-fluoro-3-nitro-benzoic acid

2,4-Dichloro-5-fluorobenzoic acid hydrazide

Refernces

• 1、 -. "Environment-friendly production process of 2, 4-dichloro-5-fluorobenzoyl chloride". Paragraph 0051; 0053; 0055; 0057; 0060; 0062. . Retrieved 2020/08/22.
• 2、 Hong, Jian,Zhang, Zonghua,Lei, Huoxing,Cheng, Haiying,Hu, Yufang,Yang, Wanliang,Liang, Yinglin,Das, Debasis,Chen, Shu-Hui,Li, Ge. "A novel approach to Finafloxacin hydrochloride (BAY35-3377)". body text. p. 2525 - 2528. Retrieved 2009/09/06.