2,4-Dichloro-5-fluoro-3-nitrobenzoic acid

Base Information

• Chemical Name: 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid
• CAS No.: 106809-14-7
• Molecular Formula: C7H2Cl2FNO4
• Molecular Weight: 254.002
• Hs Code.: 29163990
• European Community (EC) Number: 630-229-7
• DSSTox Substance ID: DTXSID10370180
• Nikkaji Number: J2.543.877I
• Wikidata: Q72466281
• Mol file: 106809-14-7.mol

Synonyms:2,4-Dichloro-5-fluoro-3-nitrobenzoic acid;106809-14-7;2,4-Dichloro-3-nitro-5-fluorobenzoic acid;2,4-dichloro-3-nitro-5-fluoro benzoic acid;2,4-dichloro-5-fluoro-3-nitro-benzoic Acid;Benzoic acid, 2,4-dichloro-5-fluoro-3-nitro-;MFCD03427137;C7H2Cl2FNO4;2,4-Dichloro-5-fluoro-3-nitrobenzoicAcid;2,4-Dichloro-5-fluoro-3-Nitro benzoic acid;SCHEMBL1416240;DTXSID10370180;PCSAPCNEJUEIGU-UHFFFAOYSA-N;AKOS009096477;AC-3947;AM82984;CS-W016760;DS-12043;SY017928;FT-0642630;A19992;EN300-257979;2,4-Dichloro-5-fluoro-3-nitrobenzoic acid, 97%;J-001654

Chemical Property of 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 8.54E-07mmHg at 25°C
• Melting Point: 193-197 °C(lit.)
• Boiling Point: 390.4 °C at 760 mmHg
• PKA: 1.51±0.24(Predicted)
• Flash Point: 189.9 °C
• PSA: 83.12000
• Density: 1.789 g/cm³
• LogP: 3.26210
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 252.9344911
• Heavy Atom Count: 15
• Complexity: 285

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dichloro-5-fluoro-3-nitrobenzoic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1F)Cl)[N+](=O)[O-])Cl)C(=O)O
• Uses: 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid may be used to synthesize:ethyl 3-(N,N-dimethylamino)-2-(2,4-dichloro-5-fluoro-3-nitrobenzoyl)acrylate7-chloro-1-cyclopropyl-6-fluoro-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidethyl-3-(N,N-dimethylamino)-2-(2,4-dichloro-5-fluoro-3-nitrobenzoyl) acrylatesubstituted 4(1H)-oxoquinoline-3-carboxylic acid

Technology Process of 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid

There total 3 articles about 2,4-Dichloro-5-fluoro-3-nitrobenzoic 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: 91.0%

2,4-dichloro-5-fluoroacetophenone (704-10-9) → 2,4-dichloro-5-fluoro-3-nitro-benzoic acid (106809-14-7)

Guidance literature:

With sulfuric acid; nitric acid; at 103 - 110 ℃; for 3h; Temperature;

Reference yield: 90.0%

2,4-dichloro-5-fluoro-benzoic acid (86522-89-6) → 2,4-dichloro-5-fluoro-3-nitro-benzoic acid (106809-14-7)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1016/j.tetlet.2009.03.051

Reference yield:

sulfuric acid (7664-93-9) + water (7732-18-5) + 2,4-dichloro-5-fluoro-benzoic acid (86522-89-6) → 2,4-dichloro-5-fluoro-3-nitro-benzoic acid (106809-14-7)

Guidance literature:

With nitric acid; In methanol; ice-water;

upstream raw materials:

2,4-dichloro-5-fluoroacetophenone

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

sulfuric acid

water

Refernces

• 1、 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.
• 2、 -. "Process for the preparation of benzoic acid derivatives". . . Retrieved 2008/06/13.