Ethyl 2-fluoro-5-nitrobenzoate

Base Information

• Chemical Name: Ethyl 2-fluoro-5-nitrobenzoate
• CAS No.: 367-79-3
• Molecular Formula: C9H8 F N O4
• Molecular Weight: 213.165
• Hs Code.: 2916399090
• European Community (EC) Number: 863-121-5
• DSSTox Substance ID: DTXSID50510048
• Wikidata: Q82368071
• Mol file: 367-79-3.mol

Synonyms:ethyl 2-fluoro-5-nitrobenzoate;367-79-3;Ethyl 2-fluoro-5-nitrobenzenecarboxylate;MFCD06204381;AB2841;SCHEMBL1496409;DTXSID50510048;UJIPWFPJAVYMHV-UHFFFAOYSA-N;AKOS005071663;AE-0763;MB03698;2-fluoro-5-nitro-benzic acid ethylester;SY240153;2-fluoro-5-nitro-benzoic acid ethyl ester;CS-0138870;FT-0681830;EN300-56311;A874282;J-520751

Chemical Property of Ethyl 2-fluoro-5-nitrobenzoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.528
• Boiling Point: 315.4°Cat760mmHg
• Flash Point: 144.6°C
• PSA: 72.12000
• Density: 1.333g/cm³
• LogP: 2.43380
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 213.04373590
• Heavy Atom Count: 15
• Complexity: 253

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-fluoro-5-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-fluoro-5-nitrobenzoate

There total 4 articles about Ethyl 2-fluoro-5-nitrobenzoate 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: 98.0%

ethanol (64-17-5) + 2-fluoro-5-nitrobenzoic acid (7304-32-7) → 2-Fluor-5-nitrobenzoesaeure-aethylester (367-79-3)

Guidance literature:

With thionyl chloride; at 80 ℃; for 3.08333h; Cooling with ice;

DOI:10.1016/j.ejmech.2020.113119

Reference yield:

2-Fluorotoluene (95-52-3) → 2-Fluor-5-nitrobenzoesaeure-aethylester (367-79-3)

Guidance literature:

Multi-step reaction with 3 steps

1: water / Eintragen von Kaliumpermanganat

2: nitric acid

3: hydrogen chloride

With hydrogenchloride; water; nitric acid;

Reference yield:

o-fluoro-benzoic acid (445-29-4) → 2-Fluor-5-nitrobenzoesaeure-aethylester (367-79-3)

Guidance literature:

Multi-step reaction with 2 steps

1: nitric acid

2: hydrogen chloride

With hydrogenchloride; nitric acid;

upstream raw materials:

ethanol

2-fluoro-5-nitrobenzoic acid

2-Fluorotoluene

o-fluoro-benzoic acid

Downstream raw materials:

2-ethoxy-5-nitro-benzoic acid ethyl ester

2-(2-Hydroxymethyl-4-methyl-1-piperazinyl)-5-nitrobenzoesaeure-aethylester

3-Methyl-9-nitro-1,2,3,4,4a,5-hexahydropyrazino<1,2-a><4,1>benzoxazepin-7-on

1-<2-(Hydroxydiphenylmethyl)phenyl>-4-methyl-2-piperazinmethanol