N~2~-(4-Bromophenyl)-1,3,5-triazine-2,4,6-triamine

Base Information

• Chemical Name: N~2~-(4-Bromophenyl)-1,3,5-triazine-2,4,6-triamine
• CAS No.: 93167-96-5
• Molecular Formula: C9H9BrN6
• Molecular Weight: 281.112
• NSC Number: 67243
• DSSTox Substance ID: DTXSID00290181
• Wikidata: Q82027788
• Mol file: 93167-96-5.mol

Synonyms:93167-96-5;NSC67243;SCHEMBL2454054;DTXSID00290181;NSC-67243;N~2~-(4-Bromophenyl)-1,3,5-triazine-2,4,6-triamine

Chemical Property of N~2~-(4-Bromophenyl)-1,3,5-triazine-2,4,6-triamine

Chemical Property:

• Vapor Pressure: 8.06E-12mmHg at 25°C
• Boiling Point: 542.2°Cat760mmHg
• Flash Point: 281.7°C
• Density: 1.803g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 280.00721
• Heavy Atom Count: 16
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC2=NC(=NC(=N2)N)N)Br

Technology Process of N~2~-(4-Bromophenyl)-1,3,5-triazine-2,4,6-triamine

There total 2 articles about N~2~-(4-Bromophenyl)-1,3,5-triazine-2,4,6-triamine 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: 90.0%

2-Chloro-4,6-diamino-1,3,5-triazine (3397-62-4) + 4-bromo-aniline (106-40-1) → 2-N-(4-bromophenyl)-1,3,5-triazine-2,4,6-triamine (93167-96-5)

Guidance literature:

2-Chloro-4,6-diamino-1,3,5-triazine; 4-bromo-aniline; In water; Reflux;

With sodium hydroxide; In water; for 6.5h; Reflux;

DOI:10.1021/la200419v

Reference yield:

→ 2-N-(4-bromophenyl)-1,3,5-triazine-2,4,6-triamine (93167-96-5)

Guidance literature:

6-Chlor-2,4-diamino-s-triazin, 4-Brom-anilin.;

DOI:10.1021/jm00341a001

Reference yield:

2-N-(4-bromophenyl)-1,3,5-triazine-2,4,6-triamine (93167-96-5) + 1-(5-chloro-2-methylthien-3-yl)-2-[5-(dibutoxyboryl)-2-methylthien-3-yl]cyclopentene (509083-62-9) → N2-(4-(4-(2-(5-chloro-2-methylthiophen-3-yl)cyclopent-1-enyl)-5-methylthiophen-2-yl)phenyl)-1,3,5-triazine-2,4,6-triamine

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In tetrahydrofuran; hexane; water; at 50 ℃; for 18h; Reflux; Inert atmosphere;

DOI:10.1021/la200419v

upstream raw materials:

2-Chloro-4,6-diamino-1,3,5-triazine

4-bromo-aniline