Methyl 2-Fluoro-3-nitrobenzoate

Base Information

• Chemical Name: Methyl 2-Fluoro-3-nitrobenzoate
• CAS No.: 946126-94-9
• Molecular Formula: C8H6FNO4
• Molecular Weight: 199.138
• Hs Code.: 2916399090
• European Community (EC) Number: 689-721-5
• DSSTox Substance ID: DTXSID80541663
• Wikidata: Q82418069
• Mol file: 946126-94-9.mol

Synonyms:Methyl 2-Fluoro-3-nitrobenzoate;946126-94-9;2-Fluoro-3-nitrobenzoic acid methyl ester;2-Fluoro-3-nitro-benzoic acid methyl ester;MFCD10566813;Methyl2-fluoro-3-nitrobenzoate;Methyl 2-fluoro-3-nitro-benzoate;SCHEMBL960443;DTXSID80541663;VEKYKLDXYNUERO-UHFFFAOYSA-N;AMY14324;CS-D1659;AKOS006302221;GS-4232;SB40157;SY046595;EN300-267902;J-522015

Chemical Property of Methyl 2-Fluoro-3-nitrobenzoate

Chemical Property:

• Vapor Pressure: 0.000586mmHg at 25°C
• Boiling Point: 310.8°C at 760 mmHg
• Flash Point: 141.8°C
• PSA: 72.12000
• Density: 1.388g/cm³
• LogP: 2.04370
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.8
• 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:

99.9% ^*data from raw suppliers

Methyl2-fluoro-3-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
• Uses: Methyl 2-fluoro-3-nitrobenzoate can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.

Technology Process of Methyl 2-Fluoro-3-nitrobenzoate

There total 7 articles about Methyl 2-Fluoro-3-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) + 2-fluoro-3-nitro-benzoic acid (317-46-4) → 2-fluoro-3-nitrobenzoic acid methyl ester (946126-94-9)

Guidance literature:

2-fluoro-3-nitro-benzoic 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-3-nitrobenzoic acid methyl ester (946126-94-9)

Guidance literature:

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

In dichloromethane;

Reference yield: 95.0%

2-chloro-3-nitrobezoic acid (3970-35-2) → 2-fluoro-3-nitrobenzoic acid methyl ester (946126-94-9)

Guidance literature:

With cesium fluoride; In dimethyl sulfoxide; at 140 ℃; for 0.666667h;

upstream raw materials:

methyl 3-fluorobenzoate

2-chloro-3-nitrobezoic acid

methanol

2-fluoro-3-nitro-benzoic acid

Downstream raw materials:

(2-fluoro-3-nitrophenyl)methanol

3-amino-2-fluorobenzoic acid methyl ester

methyl 2-fluoro-3-(2-fluoro-3-(2-fluoro-3-(2-fluoro-3-(2-fluoro-3-nitro-5-octylbenzamido)-5-octylbenzamido)-5-octylbenzamido)-5-octylbenzamido)-5-octylbenzoate

methyl 5-dodecyl-2-fluoro-3-nitrobenzoate