4,5-Difluoro-2-nitrobenzoic acid

Base Information

• Chemical Name: 4,5-Difluoro-2-nitrobenzoic acid
• CAS No.: 20372-63-8
• Molecular Formula: C7H3F2NO4
• Molecular Weight: 203.102
• Hs Code.: 29163990
• European Community (EC) Number: 922-203-1,628-475-5
• DSSTox Substance ID: DTXSID80400963
• Nikkaji Number: J1.596.575D
• Wikidata: Q72463538
• Mol file: 20372-63-8.mol

Synonyms:4,5-Difluoro-2-nitrobenzoic acid;20372-63-8;4,5-Difluoro-2-nitrobenzoicacid;2-NITRO-4,5-DIFLUOROBENZOIC ACID;Benzoic acid, 4,5-difluoro-2-nitro-;MFCD00799521;4,5-Two Fluoro -2-Nitrobenzoic Acid;3,4-difluoro-6-nitrobenzoic acid;4,5-difluoro-2-nitro-benzoic Acid;SCHEMBL405684;DTXSID80400963;HGGRAOYTQNFGGN-UHFFFAOYSA-N;TD1104;AKOS005254950;AC-1825;CS-W002689;4,5-Difluoro-2-nitrobenzoic acid, 99%;AS-15872;SY002365;AM20060415;D3555;FT-0601393;EN300-59280;J-013252;J-514088;Z905162660

Chemical Property of 4,5-Difluoro-2-nitrobenzoic acid

Chemical Property:

• Appearance/Colour: powder
• Vapor Pressure: 1.73E-05mmHg at 25°C
• Melting Point: 165-167 °C
• Refractive Index: 1.563
• Boiling Point: 349.7 °C at 760 mmHg
• PKA: 1.85±0.25(Predicted)
• Flash Point: 165.3 °C
• PSA: 83.12000
• Density: 1.661 g/cm³
• LogP: 2.09440
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 203.00301390
• Heavy Atom Count: 14
• Complexity: 255

Purity/Quality:

98% ^*data from raw suppliers

4,5-Difluoro-2-nitrobenzoic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)F)[N+](=O)[O-])C(=O)O

Technology Process of 4,5-Difluoro-2-nitrobenzoic acid

There total 3 articles about 4,5-Difluoro-2-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: 93.0%

→ 4,5-difluoro-2-nitrobenzoic acid (20372-63-8)

Guidance literature:

Reference yield: 86.0%

3,4-Difluorobenzoic acid (455-86-7) → 4,5-difluoro-2-nitrobenzoic acid (20372-63-8)

Guidance literature:

With sulfuric acid; nitric acid; at 20 ℃; for 3h;

DOI:10.1002/jhet.5570380109

Reference yield:

1,2-difluoro-4-methyl-5-nitrobenzene (127371-50-0) → 4,5-difluoro-2-nitrobenzoic acid (20372-63-8)

Guidance literature:

With CrO₃; sulfuric acid; In water; acetic acid; ethyl acetate;

upstream raw materials:

3,4-Difluorobenzoic acid

1,2-difluoro-4-methyl-5-nitrobenzene

Downstream raw materials:

4,5-difluoro-2-nitrobenzoyl chloride

4,5-difluoro-2-nitro-phenylacetamide

methyl 4,5-difluoro-2-nitrobenzoate

Refernces

• 1、 Jung,Jung,Park. "Synthesis of 4-Hydroxyquinolin-2(1H)-one analogues and 2-substituted quinolone derivatives". . p. 61 - 67. Retrieved 2007/10/03.
• 2、 -. "Process for the preparation of 4,5-difluoroanthranilic acid from 4,5-difluorophthalic anhydride or 4,5-difluorophthalic acid". . . Retrieved 2008/06/13.