5-Chlorobenzene-1,2,3-triamine

Base Information

• Chemical Name: 5-Chlorobenzene-1,2,3-triamine
• CAS No.: 100114-53-2
• Molecular Formula: C₆H₈ClN₃
• Molecular Weight: 157.603
• European Community (EC) Number: 822-446-2
• NSC Number: 364048
• DSSTox Substance ID: DTXSID001306445
• Mol file: 100114-53-2.mol

Synonyms:5-chlorobenzene-1,2,3-triamine;100114-53-2;NSC364048;5-Chloro-1,2,3-benzenetriamine;DTXSID001306445;NSC-364048;EN300-1706984

Chemical Property of 5-Chlorobenzene-1,2,3-triamine

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 157.0406750
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1N)N)N)Cl

Technology Process of 5-Chlorobenzene-1,2,3-triamine

There total 2 articles about 5-Chlorobenzene-1,2,3-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:

4-chloro-2,6-dinitroaniline (5388-62-5) → 5-chloro-benzene-1,2,3-triyltriamine (100114-53-2)

Guidance literature:

With acetic acid; platinum; Hydrogenation;

DOI:10.1021/ja01559a049

Reference yield:

5-chloro-3-nitro-o-phenylenediamine (42389-30-0) → 5-chloro-benzene-1,2,3-triyltriamine (100114-53-2)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

DOI:10.1021/jo01357a009

Reference yield:

glycolic Acid (79-14-1) + 5-chloro-benzene-1,2,3-triyltriamine (100114-53-2) → (4-amino-6-chloro-1(3)H-benzimidazol-2-yl)-methanol (101257-52-7)

Guidance literature:

With hydrogenchloride; water;

upstream raw materials:

5-chloro-3-nitro-o-phenylenediamine

4-chloro-2,6-dinitroaniline

Downstream raw materials:

(4-amino-6-chloro-1(3)H-benzimidazol-2-yl)-methanol