4-Bromo-2-fluoro-1-nitrobenzene

Base Information

• Chemical Name: 4-Bromo-2-fluoro-1-nitrobenzene
• CAS No.: 321-23-3
• Molecular Formula: C6H3BrFNO2
• Molecular Weight: 219.998
• Hs Code.: 29049090
• European Community (EC) Number: 628-505-7
• DSSTox Substance ID: DTXSID70382608
• Nikkaji Number: J1.189.945E
• Wikidata: Q72479453
• Mol file: 321-23-3.mol

Synonyms:321-23-3;4-Bromo-2-fluoro-1-nitrobenzene;4-bromo-2-fluoronitrobenzene;2-Fluoro-4-bromonitrobenzene;4-bromo-2-fluoro-1-nitro-benzene;4-bromo-2-fluoro-nitrobenzene;BENZENE, 4-BROMO-2-FLUORO-1-NITRO-;2-fluoro-4-bromo-nitrobenzene;MFCD01930221;1-BROMO-3-FLUORO-4-NITROBENZENE;SCHEMBL6619;4-Bromo-2-Floronitrobenzene;4-bromo-2-fluoro-nitro benzene;2-fluoro-4-bromo-1-nitrobenzene;DTXSID70382608;1-Nitro-2-fluoro-4-bromobenzene;VQCWSOYHHXXWSP-UHFFFAOYSA-N;CS-D0900;AB3148;BBL103787;STL557597;AKOS005063585;AKOS005254946;AB10547;AC-3201;GS-3643;SB36573;4-Bromo-2-fluoro-1-nitrobenzene, 95%;SY004997;A1635;AM20060375;B3062;FT-0600894;EN300-86169

Chemical Property of 4-Bromo-2-fluoro-1-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.017mmHg at 25°C
• Melting Point: 84-88 °C
• Refractive Index: 1.579
• Boiling Point: 263.2 °C at 760 mmHg
• Flash Point: 113 °C
• PSA: 45.82000
• Density: 1.808 g/cm³
• LogP: 3.01960
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.4
• 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:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 26-36/37/39-27

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)F)[N+](=O)[O-]
• Uses: Building block for fused aromatic and heteroaromatic compounds

Technology Process of 4-Bromo-2-fluoro-1-nitrobenzene

There total 5 articles about 4-Bromo-2-fluoro-1-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: 82.0%

4-bromo-2-fluoroaniline (367-24-8) → 4-bromo-2-fluoronitrobenzene (321-23-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In 1,2-dichloro-ethane; for 10h; Reflux;

DOI:10.1016/j.tetlet.2014.01.073

Reference yield:

3-fluorobromobenzene (1073-06-9) → 2-bromo-4-fluoronitrobenzene (700-36-7) + 4-bromo-2-fluoronitrobenzene (321-23-3)

Guidance literature:

With sodium nitrate; methanesulfonic acid; at 20 - 30 ℃;

Reference yield:

4-bromo-1,2-dinitrobenzene (610-38-8) → 4-bromo-2-fluoronitrobenzene (321-23-3)

Guidance literature:

With potassium fluoride; N,N-dimethyl-formamide; at 100 ℃;

DOI:10.1021/ja01604a022

upstream raw materials:

4-bromo-1,2-dinitrobenzene

4-bromo-2-fluoroaniline

para-nitrophenyl bromide

2-Fluoroaniline

Downstream raw materials:

2-Fluoro-4-(diphenylmethyl)nitrobenzene

5-bromo-7-fluoro-1H-indole

5-bromo-N-methyl-2-nitroaniline

N-(5-bromo-2-nitro-phenyl)-pyrrolidine-2-carboxylic acid