2-Bromo-3-fluoro-6-nitroaniline

Base Information

• Chemical Name: 2-Bromo-3-fluoro-6-nitroaniline
• CAS No.: 1218764-80-7
• Molecular Formula: C₆H₄BrFN₂O₂
• Molecular Weight: 235.012
• Hs Code.: 2921420090
• European Community (EC) Number: 808-888-9
• DSSTox Substance ID: DTXSID00598750
• Wikidata: Q82494551
• Mol file: 1218764-80-7.mol

Synonyms:2-Bromo-3-fluoro-6-nitroaniline;1218764-80-7;2-Bromo-3-fluoro-6-nitro-phenylamine;2-Bromo-3-fluoro-6-nitroaniline 97%;Benzenamine, 2-bromo-3-fluoro-6-nitro-;MFCD18071077;2-Bromo-3-fluoro-6-nitroaniline 97per cent;SCHEMBL3345953;DTXSID00598750;WSVLWVONLAQTJC-UHFFFAOYSA-N;AKOS024260845;AT13736;SB31890;PS-10597;SY274498;DB-260831;CS-0136877;2-Bromo-3-fluoro-6-nitro-phenylamine, AldrichCPR

Chemical Property of 2-Bromo-3-fluoro-6-nitroaniline

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 233.94402
• Heavy Atom Count: 12
• Complexity: 187

Purity/Quality:

97%+ ^*data from raw suppliers

2-Bromo-3-fluoro-6-nitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-3-fluoro-6-nitroaniline

There total 2 articles about 2-Bromo-3-fluoro-6-nitroaniline 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: 97.0%

2-bromo-1,3-difluoro-4-nitrobenzene (103977-78-2) → 2-bromo-3-fluoro-6-nitroaniline (1218764-80-7)

Guidance literature:

With ammonium carbonate; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 48h;

Reference yield:

1-bromo-2,6-difluorobenzene (64248-56-2) → 2-bromo-3-fluoro-6-nitroaniline (1218764-80-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; nitric acid / 0.5 h / Cooling with ice

2: ammonium carbonate; triethylamine / N,N-dimethyl-formamide / 48 h / 20 °C

With ammonium carbonate; sulfuric acid; nitric acid; triethylamine; In N,N-dimethyl-formamide;

Reference yield: 100.0%

2-bromo-3-fluoro-6-nitroaniline (1218764-80-7) + sodium methylate (124-41-4) → 2-bromo-3-methoxy-6-nitroaniline (90150-94-0)

Guidance literature:

In methanol; at 90 ℃; for 1h; Inert atmosphere;

upstream raw materials:

2-bromo-1,3-difluoro-4-nitrobenzene

1-bromo-2,6-difluorobenzene

Downstream raw materials:

N-(2-bromo-3-fluoro-6-nitrophenyl)-2-cyanoacetamide

3-bromo-4-fluorobenzene-1,2-diamine

2-bromo-3-methoxy-6-nitroaniline

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