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

Base Information

• Chemical Name: 3-Bromo-4-fluorobenzene-1,2-diamine
• CAS No.: 1257535-06-0
• Molecular Formula: C₆H₆BrFN₂
• Molecular Weight: 205.029
• Hs Code.: 2921511990
• European Community (EC) Number: 811-651-2
• DSSTox Substance ID: DTXSID70694132
• Wikidata: Q82623116
• Mol file: 1257535-06-0.mol

Synonyms:3-Bromo-4-fluorobenzene-1,2-diamine;1257535-06-0;3-Bromo-4-fluoro-benzene-1,2-diamine;3-Bromo-1,2-diamino-4-fluorobenzene;1,2-Benzenediamine, 3-bromo-4-fluoro-;SCHEMBL15231722;DTXSID70694132;TVBIACHAJVSZDK-UHFFFAOYSA-N;MFCD18071059;TD8201;1-Bromo-2,3-diamino-6-fluorobenzene;AKOS024262430;PS-8117;SB32291;CS-0098679;3-Bromo-4-fluoro-benzene-1,2-diamine, AldrichCPR

Chemical Property of 3-Bromo-4-fluorobenzene-1,2-diamine

Chemical Property:

• Boiling Point: 298.1±35.0 °C(Predicted)
• PKA: 3.15±0.10(Predicted)
• PSA: 52.04000
• Density: 1.792±0.06 g/cm3(Predicted)
• LogP: 2.91500
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 203.96984
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-4-fluorobenzene-1,2-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1N)N)Br)F

Technology Process of 3-Bromo-4-fluorobenzene-1,2-diamine

There total 3 articles about 3-Bromo-4-fluorobenzene-1,2-diamine 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: 99.0%

2-bromo-3-fluoro-6-nitroaniline (1218764-80-7) → 3-bromo-4-fluorobenzene-1,2-diamine (1257535-06-0)

Guidance literature:

With platinum on activated charcoal; hydrogen; In ethanol; for 40h;

Reference yield:

2-bromo-1,3-difluoro-4-nitrobenzene (103977-78-2) → 3-bromo-4-fluorobenzene-1,2-diamine (1257535-06-0)

Guidance literature:

Multi-step reaction with 2 steps

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

2: platinum on activated charcoal; hydrogen / ethanol / 40 h

With ammonium carbonate; platinum on activated charcoal; hydrogen; triethylamine; In ethanol; N,N-dimethyl-formamide;

Reference yield:

1-bromo-2,6-difluorobenzene (64248-56-2) → 3-bromo-4-fluorobenzene-1,2-diamine (1257535-06-0)

Guidance literature:

Multi-step reaction with 3 steps

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

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

3: platinum on activated charcoal; hydrogen / ethanol / 40 h

With ammonium carbonate; sulfuric acid; platinum on activated charcoal; hydrogen; nitric acid; triethylamine; In ethanol; N,N-dimethyl-formamide;

upstream raw materials:

1-bromo-2,6-difluorobenzene

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

2-bromo-3-fluoro-6-nitroaniline

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