2-Fluoro-6-nitrobenzoic acid

Base Information

• Chemical Name: 2-Fluoro-6-nitrobenzoic acid
• CAS No.: 385-02-4
• Molecular Formula: C7H4FNO4
• Molecular Weight: 185.111
• Hs Code.: 29163900
• European Community (EC) Number: 630-047-8
• DSSTox Substance ID: DTXSID20345324
• Wikidata: Q72475250
• Mol file: 385-02-4.mol

Synonyms:2-Fluoro-6-nitrobenzoic acid;385-02-4;6-fluoro-2-nitrobenzoic acid;2-Fluoro-6-nitrobenzoicacid;Benzoic acid, 2-fluoro-6-nitro-;2-Fluoro-6-nitro-benzoic acid;MFCD01862079;2-Carboxy-3-fluoronitrobenzene;6-fluoro-nitrobenzoic acid;SCHEMBL355378;2-Fluoro-6-nitrobenzoic acid #;DTXSID20345324;BCP01141;AC-880;BBL103245;STL557055;AKOS005063885;CS-W002848;GS-3528;SY002689;2-Fluoro-6-nitrobenzoic acid, AldrichCPR;A6520;AM20050557;F1107;FT-0601395;EN300-90380;J-509500

Chemical Property of 2-Fluoro-6-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 0.377mmHg at 25°C
• Melting Point: 150 °C
• Refractive Index: 1.357
• Boiling Point: 344.2 °C at 760 mmHg
• PKA: 1.50±0.30(Predicted)
• Flash Point: 162 °C
• PSA: 83.12000
• Density: 1.568 g/cm³
• LogP: 1.95530
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 185.01243577
• Heavy Atom Count: 13
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoro-6-nitrobenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)C(=O)O)[N+](=O)[O-]

Technology Process of 2-Fluoro-6-nitrobenzoic acid

There total 7 articles about 2-Fluoro-6-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: 95.0%

2-amino-6-fluorobenzoic acid (434-76-4) → 6-fluoro-2-nitrobenzoic acid (385-02-4)

Guidance literature:

2-amino-6-fluorobenzoic acid; With sodium hydrogencarbonate; sodium hydroxide; In water; for 0.25h; Cooling with ice;

With oxone; ethylenediaminetetraacetic acid; In water; acetone; at 20 ℃; for 6h; Cooling with ice;

DOI:10.1021/acs.jmedchem.9b01201

Reference yield: 70.0%

→ 6-fluoro-2-nitrobenzoic acid (385-02-4)

Guidance literature:

Reference yield:

1-fluoro-2-methyl-3-nitrobenzene (769-10-8) → 6-fluoro-2-nitrobenzoic acid (385-02-4)

Guidance literature:

With nitric acid;

upstream raw materials:

1-fluoro-2-methyl-3-nitrobenzene

(2-fluoro-6-nitrophenyl)methanol

nitric acid

3-nitro-o-tolylamine

Downstream raw materials:

methyl 2-fluoro-3-nitrobenzoate

C₁₅H₁₂N₂O₈

3-fluoro-1-nitrobenzene

2-amino-6-fluorobenzoic acid

Refernces

• 1、 -. "INHIBITORS OF STEAROYL-COA DESATURASE". . . Retrieved 2009/06/27.
• 2、 -. "Aryl sulfonamides and analogues thereof and their use in the treatment of neurodegenerative diseases". . . Retrieved 2008/06/13.