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

Base Information

• Chemical Name: 4-Bromo-3-fluorobenzene-1,2-diamine
• CAS No.: 886762-86-3
• Molecular Formula: C6H6BrFN2
• Molecular Weight: 205.029
• Hs Code.: 2921511990
• European Community (EC) Number: 812-161-1
• DSSTox Substance ID: DTXSID10382506
• Wikidata: Q82173863
• ChEMBL ID: CHEMBL4936485
• Mol file: 886762-86-3.mol

Synonyms:4-bromo-3-fluorobenzene-1,2-diamine;886762-86-3;6-BROMO-2,3-DIAMINOFLUOROBENZENE;4-bromo-3-fluoro-1,2-benzenediamine;MFCD07368683;4-bromo-3-fluoro-benzene-1,2-diamine;SCHEMBL239637;CHEMBL4936485;DTXSID10382506;ZTSHEADNOHWIMO-UHFFFAOYSA-N;1-Bromo-3,4-diamino-2-fluorobenzene;AKOS025404123;PS-8115;SB78479;BL009140;SY064745;CS-0084798;EN300-198761;Z1269120126

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

Chemical Property:

• Boiling Point: 275.6±35.0 °C(Predicted)
• PKA: 2.44±0.10(Predicted)
• PSA: 52.04000
• Density: 1.792±0.06 g/cm3(Predicted)
• LogP: 2.91500
• Storage Temp.: 2-8°C(protect from light)
• 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:

98.5% ^*data from raw suppliers

4-bromo-3-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)F)Br

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

There total 4 articles about 4-Bromo-3-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: 84.0%

4-bromo-3-fluoro-2-nitro-phenylamine (886762-75-0) → 4-bromo-3-fluoro-benzene-1,2-diamine (886762-86-3)

Guidance literature:

With iron; ammonium chloride; In tetrahydrofuran; ethanol; water; at 80 ℃; for 16h;

Reference yield: 74.0%

3-bromo-2-fluoro-6-nitroaniline → 4-bromo-3-fluoro-benzene-1,2-diamine (886762-86-3)

Guidance literature:

With ammonium chloride; zinc; In tetrahydrofuran; water; at 65 ℃; for 2h; Inert atmosphere;

Reference yield:

3-fluoro-2-nitro-phenylamine → 4-bromo-3-fluoro-benzene-1,2-diamine (886762-86-3)

Guidance literature:

Multi-step reaction with 2 steps

1: N-Bromosuccinimide / N,N-dimethyl-formamide / 0 - 20 °C

2: ammonium chloride; iron / ethanol; water; tetrahydrofuran / 16 h / 80 °C

With N-Bromosuccinimide; iron; ammonium chloride; In tetrahydrofuran; ethanol; water; N,N-dimethyl-formamide;

upstream raw materials:

4-bromo-3-fluoro-2-nitro-phenylamine

2,6-difluoro-1-nitrobenzene

Downstream raw materials:

5-bromo-4-fluoro-1H-benzo[d]imidazole