1,2-Difluoro-4,5-dinitrobenzene

Base Information

• Chemical Name: 1,2-Difluoro-4,5-dinitrobenzene
• CAS No.: 85686-97-1
• Molecular Formula: C6H2F2N2O4
• Molecular Weight: 204.09
• Hs Code.: 2904909090
• European Community (EC) Number: 861-445-1
• DSSTox Substance ID: DTXSID10507358
• Nikkaji Number: J1.366.061A
• Wikidata: Q82363540
• Mol file: 85686-97-1.mol

Synonyms:1,2-difluoro-4,5-dinitrobenzene;85686-97-1;Benzene, 1,2-difluoro-4,5-dinitro-;1,2-Dinitro-4,5-difluorobenzene;MFCD00185597;SCHEMBL3756498;DTXSID10507358;1,2-difluoro-4,5- dinitrobenzene;AKOS024262500;AS-40728;SY184900;CS-0147593;FT-0696156;EN300-61138;A929835

Chemical Property of 1,2-Difluoro-4,5-dinitrobenzene

Chemical Property:

• Boiling Point: 337.0±37.0 °C(Predicted)
• PSA: 91.64000
• Density: 1.679±0.06 g/cm3(Predicted)
• LogP: 2.82760
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 203.99826287
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

1,2-difluoro-4,5-dinitrobenzene 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,2-Difluoro-4,5-dinitrobenzene

There total 2 articles about 1,2-Difluoro-4,5-dinitrobenzene 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: 70.1%

3,4-difluoronitrobenzene (369-34-6) → 1,2-dinitro-4,5-difluorobenzene (85686-97-1)

Guidance literature:

With sulfuric acid; nitric acid; at 90 ℃; for 1.5h; Temperature;

Reference yield: 38.0%

ortho-difluorobenzene (367-11-3) → 1,2-dinitro-4,5-difluorobenzene (85686-97-1)

Guidance literature:

With sulfuric acid; nitric acid; at 20 - 100 ℃; for 16h;

DOI:10.1021/ja308055s

Reference yield: 91.0%

1,2-dinitro-4,5-difluorobenzene (85686-97-1) + C60H84N4O16 → C84H84N12O32

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 70 ℃; for 12h;

DOI:10.1002/1521-3765(20001016)6:20<3797::AID-CHEM3797>3.0.CO;2-1

upstream raw materials:

ortho-difluorobenzene

3,4-difluoronitrobenzene

Downstream raw materials:

6,13,20,39-tetramethyl-2,3,9,10,16,17,23,24-octanitro-29,31,33,35-tetrapentyl-27,37:28,36-dimetheno-29H,31H,33H,35H-dibenzobis<1,7>benzodioxonino<3,2-j:3',2'-j'>benzo<1,2-e:5,4-e'>bis<1,3>benzodioxonin

(17s,18s,19s,20s)-17,18,19,20-tetraundecyl-3⁴,3⁵,7⁴,7⁵,11⁴,11⁵,15⁴,15⁵-octanitro-2,4,6,8,10,12,14,16-octaoxa-3,7,11,15(1,2),1,5,9,13(1,2,4,5)-octabenzenapentacyclo[11.3.1.1^1,5.1^5,9.1^9,13]icosaphane

Refernces

• 1、 -. "Preparation method of fusion casting carrier 1, 2-difluoro-4, 5-dinitrobenzene". Paragraph 0026-0041. . Retrieved 2020/07/03.