4,5-Dibromobenzene-1,2-diamine

Base Information

• Chemical Name: 4,5-Dibromobenzene-1,2-diamine
• CAS No.: 49764-63-8
• Molecular Formula: C6H6Br2N2
• Molecular Weight: 265.935
• Hs Code.: 2921590090
• European Community (EC) Number: 691-495-8
• DSSTox Substance ID: DTXSID30480013
• Nikkaji Number: J89.535K
• Wikidata: Q82314474
• Mol file: 49764-63-8.mol

Synonyms:4,5-Dibromobenzene-1,2-diamine;49764-63-8;4,5-Dibromo-1,2-phenylenediamine;1,2-Benzenediamine, 4,5-dibromo-;4,5-dibromo-o-phenylenediamine;1,2-Diamino-4,5-dibromobenzene;MFCD00795598;SCHEMBL2244271;DTXSID30480013;TTXGKCVKGXHPRI-UHFFFAOYSA-N;AKOS015919761;AM10058;CS-W018726;GS-3843;AC-27964;SY023194;D4062;FT-0686788;EN300-399871;10.14272/TTXGKCVKGXHPRI-UHFFFAOYSA-N.1;A852613;doi:10.14272/TTXGKCVKGXHPRI-UHFFFAOYSA-N.1;doi:10.14272/TTXGKCVKGXHPRI-UHFFFAOYSA-N.2;4,5-DibroMo-1,2-phenylenediaMine

Chemical Property of 4,5-Dibromobenzene-1,2-diamine

Chemical Property:

• Melting Point: 155℃
• Boiling Point: 326.7±37.0 °C(Predicted)
• PKA: 2.68±0.10(Predicted)
• PSA: 52.04000
• Density: 2.104±0.06 g/cm3(Predicted)
• LogP: 3.53840
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 265.88772
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

97% ^*data from raw suppliers

4,5-Dibromobenzene-1,2-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Br)Br)N)N

Technology Process of 4,5-Dibromobenzene-1,2-diamine

There total 14 articles about 4,5-Dibromobenzene-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: 100.0%

1,2-dinitro-4,5-dibromobenzene (54558-18-8) → 4,5-dibromo-1,2-diaminobenzene (49764-63-8)

Guidance literature:

With hydrogenchloride; tin; In ethanol;

Reference yield: 97.0%

N-[4,5-dibromo-2-(p-tolylsulfonylamino)phenyl]-4-methylbenzenesulfonamide (88617-67-8) → 4,5-dibromo-1,2-diaminobenzene (49764-63-8)

Guidance literature:

With sulfuric acid; at 23 ℃; for 1h;

DOI:10.1039/C8RA06676K

Reference yield: 82.0%

2-nitro-4,5-dibromoaniline (75293-97-9) → 4,5-dibromo-1,2-diaminobenzene (49764-63-8)

Guidance literature:

With hydrogen; nickel; In ethanol; for 0.75h; under 2585.74 Torr;

DOI:10.1016/S0968-0896(00)00188-7

upstream raw materials:

1,2-dinitro-4,5-dibromobenzene

2-nitro-4,5-dibromoaniline

N-[4,5-dibromo-2-(p-tolylsulfonylamino)phenyl]-4-methylbenzenesulfonamide

1,2-bis-(p-methylphenylsulfonamido)-benzene

Downstream raw materials:

5,6-dibromo-1H-benzo[d]imidazole

5,6-dibromo-2-(3,4-dinitrophenyl)benzimidazole

5,6-dibromo-1H-benzo[d][1,2,3]triazole

5,6-dibromo-2-(3,4-diaminophenyl)benzimidazole