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

Base Information

• Chemical Name: 1,2-Difluoro-4-methyl-5-nitrobenzene
• CAS No.: 127371-50-0
• Molecular Formula: C7H5F2NO2
• Molecular Weight: 173.119
• Hs Code.: 2904909090
• European Community (EC) Number: 642-488-3
• DSSTox Substance ID: DTXSID10373313
• Wikidata: Q72463581
• Mol file: 127371-50-0.mol

Synonyms:1,2-difluoro-4-methyl-5-nitrobenzene;127371-50-0;4,5-Difluoro-2-nitrotoluene;MFCD04973772;Benzene, 1,2-difluoro-4-methyl-5-nitro-;1,2-Difluoro-4-methyl-5-nitro-benzene;SCHEMBL440478;DTXSID10373313;DJEBTFSOEQWELL-UHFFFAOYSA-N;AKOS006346489;1-Nitro-3,4-difluoro-6-methylbenzene;AM61297;DS-14278;SY041664;CS-0030565;FT-0659526;1,2-bis(fluoranyl)-4-methyl-5-nitro-benzene;EN300-219170;A805691;ethyl?1-m-tolyl-1H-1,2,4-triazole-3-carboxylate;J-005485

Chemical Property of 1,2-Difluoro-4-methyl-5-nitrobenzene

Chemical Property:

• Boiling Point: 224.5 °C at 760 mmHg
• Flash Point: 97.9 °C
• PSA: 45.82000
• Density: 1.374g/cm³
• LogP: 2.70460
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 173.02883473
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])F)F

Technology Process of 1,2-Difluoro-4-methyl-5-nitrobenzene

There total 2 articles about 1,2-Difluoro-4-methyl-5-nitrobenzene 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: 81.0%

1,2-dichloro-4-methyl-5-nitrobenzene (7494-45-3) → 1,2-difluoro-4-methyl-5-nitrobenzene (127371-50-0)

Guidance literature:

With potassium fluoride; tetrabutylammomium bromide; In sulfolane; at 75 - 80 ℃; for 2h;

Reference yield:

3,4-difluorotoluene (2927-34-6) → 1,2-difluoro-4-methyl-5-nitrobenzene (127371-50-0)

Guidance literature:

With sulfuric acid; nitric acid; acetic acid; In dichloromethane;

Reference yield: 96.8%

1,2-difluoro-4-methyl-5-nitrobenzene (127371-50-0) → 4,5-difluoro-2-methylaniline (875664-57-6)

Guidance literature:

With hydrogen; In methanol; at 55 - 60 ℃; for 3h; under 60006 Torr; Sealed tube;

upstream raw materials:

3,4-difluorotoluene

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

Downstream raw materials:

4,5-difluoro-2-nitrobenzoic acid

2-(2-fluoro-5-methyl-4-nitrophenyl)-1H-isoindole-1,3(2H)-dione

2,4,5-Trifluoro-toluene

(2,4,5-trifluorophenyl)acetic acid

Refernces

• 1、 -. "Intermediates for preparing 1,4-dihydro-4-oxo-quinoline-3-carboxylic acid esters". . . Retrieved 2008/06/13.