Methyl 2-fluoro-5-nitrobenzoate

Base Information

• Chemical Name: Methyl 2-fluoro-5-nitrobenzoate
• CAS No.: 2965-22-2
• Molecular Formula: C8H6FNO4
• Molecular Weight: 199.138
• Hs Code.: 2916399090
• European Community (EC) Number: 834-080-0
• DSSTox Substance ID: DTXSID60459055
• Nikkaji Number: J2.782.717I
• Wikidata: Q72490823
• Mol file: 2965-22-2.mol

Synonyms:METHYL 2-FLUORO-5-NITROBENZOATE;2965-22-2;methyl 2-fluoro-5-nitrobenzenecarboxylate;2-Fluoro-5-nitrobenzoic acid methyl ester;Benzoic acid, 2-fluoro-5-nitro-, methyl ester;MFCD06203689;4-Fluoro-3-(Methoxycarbonyl)nitrobenzene;Heptadecylmercaptan;Methyl 2-fluoro-5-nitro-benzoate;Benzoicacid, 2-fluoro-5-nitro-, methyl ester;SCHEMBL194989;DTXSID60459055;JZLONOOYIXEAHM-UHFFFAOYSA-N;BCP12424;AB2905;AKOS005063185;CS-W015641;LC-0701;methyl2-fluoro-5-nitrobenzenecarboxylate;AC-28695;SY103799;2-Fluoro-5-nitro-benzoic acid methyl ester;AM20061026;FT-0651290;M3115;EN300-51523;A846982;J-017591;J-522017

Chemical Property of Methyl 2-fluoro-5-nitrobenzoate

Chemical Property:

• Vapor Pressure: 0.000967mmHg at 25°C
• Melting Point: 49-51℃
• Refractive Index: 1.533
• Boiling Point: 302.8 °C at 760 mmHg
• Flash Point: 136.9 °C
• PSA: 72.12000
• Density: 1.388 g/cm³
• LogP: 2.04370
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 199.02808583
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

Methyl 2-Fluoro-5-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-fluoro-5-nitrobenzoate

There total 11 articles about Methyl 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: 99.0%

methanol (67-56-1) + 5-amino-2-fluorobenzoic acid (56741-33-4) → methyl 2-fluoro-5-nitro-benzoate (2965-22-2)

Guidance literature:

5-amino-2-fluorobenzoic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃;

methanol; In dichloromethane; for 0.0833333h;

DOI:10.1016/j.ejmech.2020.112963

Reference yield: 99.0%

2-fluoro-5-nitrobenzoic acid (7304-32-7) + methyl iodide (74-88-4) → methyl 2-fluoro-5-nitro-benzoate (2965-22-2)

Guidance literature:

2-fluoro-5-nitrobenzoic acid; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.333333h; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1007/s10870-009-9588-y

Reference yield: 99.0%

→ methyl 2-fluoro-5-nitro-benzoate (2965-22-2)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃;

In dichloromethane;

upstream raw materials:

2-chloro-5-nitro-benzoic acid methyl ester

methanol

o-fluoro-benzoic acid

2-fluoro-5-nitrobenzoic acid

Downstream raw materials:

methyl 5-amino-2-fluorobenzoate

2-indazol-2-yl-5-nitro-benzoic acid methyl ester

methyl 5-nitro-2-(2',3',4',6'-tetra-O-acetyl-α-D-galactopyranosyloxy)benzoate

2-fluoro-4-methoxy-5-nitro-benzoic acid methyl ester