Methyl 2,4-difluoro-5-nitrobenzoate

Base Information

• Chemical Name: Methyl 2,4-difluoro-5-nitrobenzoate
• CAS No.: 125568-71-0
• Molecular Formula: C8H5F2NO4
• Molecular Weight: 217.129
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID50466152
• Wikidata: Q72463541
• Mol file: 125568-71-0.mol

Synonyms:Methyl 2,4-difluoro-5-nitrobenzoate;125568-71-0;2,4-DIFLUORO-5-NITROBENZOIC ACID METHYL ESTER;BENZOIC ACID, 2,4-DIFLUORO-5-NITRO-, METHYL ESTER;MFCD07779369;2,4-Difluoro-5-nitro-benzoic acid methyl ester;2,4-Dfluoro-5-nitrobenzoicacidmethylester;SCHEMBL2247382;DTXSID50466152;KLMBOVOUTOBMLS-UHFFFAOYSA-N;BCP23094;Methyl2,4-difluoro-5-nitrobenzoate;AKOS009485781;AB11769;CS-W019417;DS-1000;SY030551;AM20020331;FT-0695094;A847680;Q-103475;F1905-7112

Chemical Property of Methyl 2,4-difluoro-5-nitrobenzoate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 310.074°C at 760 mmHg
• Flash Point: 141.328°C
• PSA: 72.12000
• Density: 1.471±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 2.18280
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 217.01866396
• Heavy Atom Count: 15
• Complexity: 268

Purity/Quality:

98%min ^*data from raw suppliers

Methyl2,4-Difluoro-5-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2,4-difluoro-5-nitrobenzoate

There total 5 articles about Methyl 2,4-difluoro-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: 100.0%

methanol (67-56-1) + 2,4-difluoro-5-nitro-benzoic acid (153775-33-8) → methyl 2,4-difluoro-5-nitrobenzoate (125568-71-0)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 16h; Heating / reflux;

Reference yield: 88.0%

2,4-difluoro-5-nitro-benzoic acid (153775-33-8) → methyl 2,4-difluoro-5-nitrobenzoate (125568-71-0)

Guidance literature:

With sulfuric acid; In methanol; for 1.5h; Heating / reflux;

Reference yield:

methyl 2,4-difluorobenzoate (106614-28-2) → methyl 2,4-difluoro-5-nitrobenzoate (125568-71-0)

Guidance literature:

With sulfuric acid; nitric acid;

upstream raw materials:

methanol

2,4-difluoro-benzoic acid

2,4-difluoro-5-nitro-benzoic acid

methyl 2,4-difluorobenzoate

Refernces

• 1、 -. "Sulfamide derivative and application thereof". Paragraph 0203; 0204. . Retrieved 2017/08/29.
• 2、 -. "TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS". Page/Page column 57; 60. . Retrieved 2013/11/05.