2-Bromo-3-fluoronitrobenzene

Base Information

• Chemical Name: 2-Bromo-3-fluoronitrobenzene
• CAS No.: 59255-94-6
• Molecular Formula: C6H3BrFNO2
• Molecular Weight: 219.998
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID10593216
• Nikkaji Number: J2.690.686E
• Wikidata: Q72456274
• Mol file: 59255-94-6.mol

Synonyms:2-BROMO-3-FLUORONITROBENZENE;59255-94-6;2-Bromo-1-fluoro-3-nitrobenzene;Benzene, 2-bromo-1-fluoro-3-nitro-;MFCD07782080;2-bromo-3-fluoro-1-nitrobenzene;2-Bromo-3-nitroflorobenzene;SCHEMBL117348;2-bromo-1-fluor-3-nitrobenzene;DTXSID10593216;ICIVWQQTOYDXDM-UHFFFAOYSA-N;AKOS005063589;AKOS005258216;AC-9671;AM61590;AS-15341;DB-005193;A8334;CS-0060301;EN300-1911728

Chemical Property of 2-Bromo-3-fluoronitrobenzene

Chemical Property:

• Vapor Pressure: 0.152mmHg at 25°C
• Melting Point: 42.0-44.0 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• Refractive Index: 1.579
• Boiling Point: 222.326 °C at 760 mmHg
• Flash Point: 88.26 °C
• PSA: 45.82000
• Density: 1.808 g/cm³
• LogP: 3.01960
• Storage Temp.: Sealed in dry,Room Temperature
• 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:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): T
• Hazard Codes: T

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-3-fluoronitrobenzene

There total 7 articles about 2-Bromo-3-fluoronitrobenzene 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: 85.0%

2-fluoro-6-nitroaniline (17809-36-8) → 2-bromo-3-fluoronitrobenzene (59255-94-6)

Guidance literature:

With sulfuric acid; hydrogen bromide; acetic acid; copper(I) bromide; sodium nitrite; In water; at 20 ℃; for 7h; Reagent/catalyst; Solvent;

Reference yield: 85.0%

C6H3BrN3O2(1+)*BF4(1-) → 2-bromo-3-fluoronitrobenzene (59255-94-6)

Guidance literature:

In toluene; at 80 ℃; for 2h; Temperature;

Reference yield: 55.0%

3-fluoro-1-nitrobenzene (402-67-5) → 2-bromo-3-fluoronitrobenzene (59255-94-6)

Guidance literature:

With carbon tetrabromide; lithium tert-butoxide; In N,N-dimethyl-formamide; at 60 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ol802411f DOI:10.1021/jo9015369

upstream raw materials:

2-fluoro-6-nitroaniline

N-(2-fluorophenyl)acetamide

N-(2-fluoro-6-nitrophenyl)acetamide

3-fluoro-1-nitrobenzene

Downstream raw materials:

2-chloro-3-fluoroaniline

2-bromo-3-fluoroaniline

7-bromo-6-fluoro-1H-indole

N¹-cyclopropyl-6-fluorobenzene-1,2-diamine