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

Base Information

• Chemical Name: 5-Bromo-3-fluorobenzene-1,2-diamine
• CAS No.: 517920-69-3
• Molecular Formula: C6H6BrFN2
• Molecular Weight: 205.029
• Hs Code.: 2921590090
• European Community (EC) Number: 695-912-4
• DSSTox Substance ID: DTXSID40378331
• Wikidata: Q72455784
• Mol file: 517920-69-3.mol

Synonyms:5-bromo-3-fluorobenzene-1,2-diamine;517920-69-3;5-Bromo-2,3-diaminofluorobenzene;5-Bromo-3-fluoro-benzene-1,2-diamine;MFCD03094270;1,2-Benzenediamine, 5-bromo-3-fluoro-;5-Bromo-3-fluorophenylene-1,2-diamine;1,2-DIAMINO-4-BROMO-6-FLUOROBENZENE;SCHEMBL231997;DTXSID40378331;OZKZRRLKJAXHQA-UHFFFAOYSA-N;AMY28176;CL8378;5-bromo-3-fluorobenzene-1.2 diamine;AKOS015835530;CS-W005739;PS-8116;SB37458;SY101485;FT-0696576;EN300-198759;Z1269157484

Chemical Property of 5-Bromo-3-fluorobenzene-1,2-diamine

Chemical Property:

• Vapor Pressure: 0.0053mmHg at 25°C
• Boiling Point: 274.8°C at 760 mmHg
• PKA: 2.07±0.10(Predicted)
• Flash Point: 120°C
• PSA: 52.04000
• Density: 1.792g/cm³
• LogP: 2.91500
• Storage Temp.: 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:

98%Min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Bromo-3-fluorobenzene-1,2-diamine

There total 2 articles about 5-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: 99.0%

4-Bromo-2-fluoro-6-nitrobenzenamine (517920-70-6) → 5-bromo-3-fluoro-1,2-phenylenediamine (517920-69-3)

Guidance literature:

With iron; ammonium chloride; In tetrahydrofuran; water; at 95 ℃; for 22h;

Reference yield:

2-amino-4-bromo-6-fluoro-nitrobenzene (1193385-18-0) → 5-bromo-3-fluoro-1,2-phenylenediamine (517920-69-3)

Guidance literature:

With tin(ll) chloride;

DOI:10.1016/j.bmcl.2008.10.095

Reference yield: 92.0%

formic acid (64-18-6) + 5-bromo-3-fluoro-1,2-phenylenediamine (517920-69-3) → 5-bromo-7-fluoro-1H-benzo[d]imidazole (1197944-23-2)

Guidance literature:

Reflux;

upstream raw materials:

2-amino-4-bromo-6-fluoro-nitrobenzene

4-Bromo-2-fluoro-6-nitrobenzenamine

Downstream raw materials:

7-bromo-5-fluoroquinoxaline

5-bromo-7-fluoro-1H-benzo[d]imidazole

Refernces

• 1、 -. "ANTI-VIRAL COMPOUNDS". Page/Page column 156-157. . Retrieved 2012/06/30.
• 2、 -. "BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS". Page/Page column 87-88. . Retrieved 2009/12/05.