2,3,4,5,6-Pentabromoaniline

Base Information

• Chemical Name: 2,3,4,5,6-Pentabromoaniline
• CAS No.: 13665-98-0
• Molecular Formula: C6H2 Br5 N
• Molecular Weight: 487.609
• Hs Code.: 2921420090
• European Community (EC) Number: 659-490-5
• DSSTox Substance ID: DTXSID90159879
• Nikkaji Number: J3.146.811F
• Wikidata: Q83028259
• Mol file: 13665-98-0.mol

Synonyms:2,3,4,5,6-pentabromoaniline;13665-98-0;Benzenamine, 2,3,4,5,6-pentabromo-;Aniline, 2,3,4,5,6-pentabromo-;2,3,4,5,6-Pentabromobenzenamine;Pentabrom-anilin;C6H2Br5N;SARCOSINEHYDROCHLORIDE;C6-H2-Br5-N;SCHEMBL3739006;DTXSID90159879;AKOS016007376;CS-0445533;FT-0636934

Chemical Property of 2,3,4,5,6-Pentabromoaniline

Chemical Property:

• Vapor Pressure: 2.23E-06mmHg at 25°C
• Boiling Point: 392.8°Cat760mmHg
• Flash Point: 191.3°C
• PSA: 26.02000
• Density: 2.824g/cm³
• LogP: 5.66250
• Storage Temp.: 2-8°C
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 486.60631
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,3,4,5,6-Pentabromoaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)N
• Uses: 2,3,4,5,6-Pentabromoaniline is used as a reagent to synthesize polybrominated phenyls, compounds that act as fire retardants.

Technology Process of 2,3,4,5,6-Pentabromoaniline

There total 22 articles about 2,3,4,5,6-Pentabromoaniline 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:

5-bromo-2-nitroaniline (5228-61-5) → pentabromoaniline (13665-98-0)

Guidance literature:

Multi-step reaction with 6 steps

1: hydrochloric acid; bromine

3: alcohol; ammonia / 150 °C

5: tin; hydrochloric acid

6: hydrochloric acid / Beim Bromieren

With hydrogenchloride; tin; ethanol; ammonia; bromine;

Reference yield:

Pentabromofluorobenzene (827-05-4) → pentabromoaniline (13665-98-0)

Guidance literature:

With ammonia; at 150 ℃;

DOI:10.1039/j39710000167

Reference yield:

3,5-dibromoaniline (626-40-4) → pentabromoaniline (13665-98-0)

Guidance literature:

With acetic acid; Beim Bromieren;

upstream raw materials:

pentabromonitrobenzene

3,5-dibromoaniline

Pentabromofluorobenzene

bromine

Downstream raw materials:

pentabromobenzene

N-pentabromophenyl-diacetamide

pentabromoiodobenzene

Pentabromphenylhydrazin