2,5-Difluoronitrobenzene

Base Information

• Chemical Name: 2,5-Difluoronitrobenzene
• CAS No.: 364-74-9
• Molecular Formula: C6H3F2NO2
• Molecular Weight: 159.092
• Hs Code.: 29049090
• European Community (EC) Number: 206-663-4
• NSC Number: 528657
• UNII: UYT39NR8J2
• DSSTox Substance ID: DTXSID60189921
• Nikkaji Number: J193.868A
• Wikidata: Q72463513
• ChEMBL ID: CHEMBL164704
• Mol file: 364-74-9.mol

Synonyms:2,5-difluoronitrobenzene

Chemical Property of 2,5-Difluoronitrobenzene

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.000157mmHg at 25°C
• Melting Point: -11.7 °C(lit.)
• Refractive Index: n20/D 1.509(lit.)
• Boiling Point: 206.5 °C at 760 mmHg
• Flash Point: 90 °C
• PSA: 45.82000
• Density: 1.45 g/cm³
• LogP: 2.39620
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: insoluble
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 159.01318466
• Heavy Atom Count: 11
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

2,5-Difluoronitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitros, Aromatic
• Canonical SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])F
• Uses: 2,5-Difluoronitrobenzene was used in the synthesis of :N-alkylated 2-arylaminobenzimidazolesquinoxalinonesN-(2-nitro-4-fluorophenyl)-l,2,3,4-tetrahydroisoquinoline

Technology Process of 2,5-Difluoronitrobenzene

There total 7 articles about 2,5-Difluoronitrobenzene 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: 98.0%

para-difluorobenzene (540-36-3) → 1,4-difluoro-2-nitrobenzene (364-74-9)

Guidance literature:

With sulfuric acid; nitric acid; at 30 - 70 ℃; for 0.0333333h; Large scale;

DOI:10.1021/op300350v

Reference yield: 86.0%

para-difluorobenzene (540-36-3) → 1,4-difluoro-2-nitrobenzene (364-74-9) + 1,4-difluoro-2,3-dinitrobenzene (151222-67-2)

Guidance literature:

With sulfuric acid; nitric acid; at 30 - 70 ℃; for 0.0333333h; Large scale;

DOI:10.1021/op300350v

Reference yield: 59.0%

2,5-difluoroaniline (367-30-6) → 1,4-difluoro-2-nitrobenzene (364-74-9)

Guidance literature:

With water; fluorine; In acetonitrile; at 20 ℃; for 5h; Inert atmosphere; Flow reactor;

DOI:10.1002/cssc.201100423

upstream raw materials:

para-difluorobenzene

1-chloro-2,4-dinitro-benzene

2,5-difluoroaniline

nitrobenzene

Downstream raw materials:

4-Fluoranthroxanonitril

methyl 4-<<(4-fluoro-2-nitrophenyl)amino>methyl>benzoate

N-Cyclohexyl-4-fluor-2-nitroanilin

2-<<(4-chlorophenyl)methyl>amino>-5-fluoronitrobenzene

Refernces

• 1、 Bardin,Adonin, N. Yu.. "Reactions of aromatic compounds with xenon difluoride". . p. 1400 - 1407. Retrieved 2016/11/29.
• 2、 McPake, Christopher B.,Murray, Christopher B.,Sandford, Graham. "Sequential continuous flow processes for the oxidation of amines and azides by using HOF·MeCN". experimental part. p. 312 - 319. Retrieved 2012/06/15.