1-Bromo-3-fluoro-2-nitrobenzene

Base Information

• Chemical Name: 1-Bromo-3-fluoro-2-nitrobenzene
• CAS No.: 886762-70-5
• Molecular Formula: C6H3BrFNO2
• Molecular Weight: 219.998
• Hs Code.: 29042090
• European Community (EC) Number: 689-316-3
• DSSTox Substance ID: DTXSID10382465
• Wikidata: Q72456262
• Mol file: 886762-70-5.mol

Synonyms:1-bromo-3-fluoro-2-nitrobenzene;886762-70-5;2-Bromo-6-fluoronitrobenzene;2-fluoro-6-bromonitrobenzene;MFCD07368788;Benzene, 1-bromo-3-fluoro-2-nitro-;1-bromo-3-fluoro-2-nitro-benzene;SCHEMBL418362;DTXSID10382465;VFPAOFBPEYCAAZ-UHFFFAOYSA-N;BCP11728;BBL100674;CL8951;STL554468;AKOS005254662;CS-W005162;MB04477;AC-23721;AS-18592;SY022869;AM20060009;B4842;FT-0647528;EN300-100610;J-504422

Chemical Property of 1-Bromo-3-fluoro-2-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.092mmHg at 25°C
• Melting Point: 36-37 °C
• Refractive Index: 1.579
• Boiling Point: 232 °C at 760 mmHg
• Flash Point: 94.1 °C
• PSA: 45.82000
• Density: 1.808 g/cm³
• LogP: 3.01960
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 218.93312
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-3-fluoro-2-nitrobenzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Bromo-3-fluoro-2-nitrobenzene

There total 2 articles about 1-Bromo-3-fluoro-2-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: 88.0%

2-bromo-6-fluoroaniline (65896-11-9) → 2?bromo?6?fluoronitrobenzene (886762-70-5)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In 1,2-dichloro-ethane; at 70 ℃; for 2h;

DOI:10.1021/ol8026957

Reference yield:

sodium perborate (7632-04-4) + 2-bromo-6-fluoroaniline (65896-11-9) → 2?bromo?6?fluoronitrobenzene (886762-70-5)

Guidance literature:

In water; acetic acid; at 55 ℃; for 4h;

Reference yield: 96.0%

[(2Z)-2-buten-2-yl]boronic acid (125261-73-6) + 2?bromo?6?fluoronitrobenzene (886762-70-5) → (E)-1-(but-2-en-2-yl)-3-fluoro-2-nitrobenzene

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; potassium phosphate; palladium diacetate; In tetrahydrofuran; water; at 50 ℃; Inert atmosphere;

DOI:10.1055/s-0040-1707250

upstream raw materials:

sodium perborate

2-bromo-6-fluoroaniline

Downstream raw materials:

benzyl-(3-bromo-2-nitro-phenyl)-amine

ethyl (3-bromo-2-nitrophenyl)glycinate

3-bromo-N-methyl-2-nitrobenzenamine

C₉H₁₁BrN₂O₂

Refernces

• 1、 Pissot-Soldermann, Carole,Gerspacher, Marc,Furet, Pascal,Gaul, Christoph,Holzer, Philipp,McCarthy, Clive,Radimerski, Thomas,Regnier, Catherine H.,Baffert, Fabienne,Drueckes, Peter,Tavares, Gisele A.,Vangrevelinghe, Eric,Blasco, Francesca,Ottaviani, Giorgio,Ossola, Flavio,Scesa, Julien,Reetz, Janitha. "Discovery and SAR of potent, orally available 2,8-diaryl-quinoxalines as a new class of JAK2 inhibitors". scheme or table. p. 2609 - 2613. Retrieved 2010/07/05.
• 2、 -. "Benzimidazolone and dihydroindolone derivatives and uses thereof". Page/Page column 64-65. . Retrieved 2008/06/13.