3,4,5-Tribromoaniline

Base Information

• Chemical Name: 3,4,5-Tribromoaniline
• CAS No.: 609-16-5
• Molecular Formula: C6H4Br3N
• Molecular Weight: 329.816
• DSSTox Substance ID: DTXSID40209732
• Nikkaji Number: J134.563J
• Wikidata: Q83084143
• Mol file: 609-16-5.mol

Synonyms:3,4,5-Tribromoaniline;609-16-5;Benzenamine, 3,4,5-tribromo-;(3,4,5-tribromophenyl)amine;SCHEMBL3198004;DTXSID40209732;FJBYYZKYMWMKRT-UHFFFAOYSA-N;MFCD02657490;AKOS003626440;AB11948;CS-0223436;C90508;EN300-115289;F1223-0028

Chemical Property of 3,4,5-Tribromoaniline

Chemical Property:

• Vapor Pressure: 8.82E-05mmHg at 25°C
• Boiling Point: 340°C at 760 mmHg
• Flash Point: 159.5°C
• PSA: 26.02000
• Density: 2.351g/cm³
• LogP: 4.13750
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 328.78734
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98%min ^*data from raw suppliers

3,4,5-Tribromoaniline 95%+ ^*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)N
• Uses: 3,4,5-Tribromoaniline is an intermediate in the synthesis of PBB 180 (P215190), a brominated biphenyls that can be used as a flame retardant and often incorporated into consumer products including appliances, electronics and plastics.

Technology Process of 3,4,5-Tribromoaniline

There total 2 articles about 3,4,5-Tribromoaniline 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:

1,2,3-tribromo-5-nitrobenzene (3460-20-6) → 3,4,5-tribromoaniline (609-16-5)

Guidance literature:

bei der Reduktion;

Reference yield:

→ 3,4,5-tribromoaniline (609-16-5)

Guidance literature:

aus 3,4,5-Tribrom-nitrobenzol;

Reference yield: 84.0%

3,4,5-tribromoaniline (609-16-5) + 3-methoxyestra-16,17-seco-1,3,5(10)-trien-17-al (221454-64-4) → ((1S,2S)-7-Methoxy-2-methyl-1-propyl-1,2,3,4,9,10-hexahydro-phenanthren-2-yl)-methanol + C26H30Br3NO

Guidance literature:

3,4,5-tribromoaniline; 3-methoxyestra-16,17-seco-1,3,5⁽¹⁰⁾-trien-17-al; With 4 A molecular sieve; In dichloromethane; at 40 ℃; for 4h;

With boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃;

upstream raw materials:

1,2,3-tribromo-5-nitrobenzene

Downstream raw materials:

1,2,3-tribromobenzene

1,2,3-tribromo-5-fluorobenzene

3,4,5-tribromophenol

3,4,5-tribromophenylhydrazine