Benzene-1,3,5-triamine trihydrochloride

Base Information

• Chemical Name: Benzene-1,3,5-triamine trihydrochloride
• CAS No.: 638-09-5
• Molecular Formula: C₆H₉N₃*3ClH
• Molecular Weight: 232.54
• Hs Code.: 2921590090
• European Community (EC) Number: 866-409-9
• UNII: 2L4SMV9CDY
• DSSTox Substance ID: DTXSID90598648
• Mol file: 638-09-5.mol

Synonyms:638-09-5;Benzene-1,3,5-triamine trihydrochloride;1,3,5-Triaminobenzene trihydrochloride;1,3,5-Benzenetriamine, trihydrochloride;1,3,5-benzenetriamine trihydrochloride;benzene-1,3,5-triamine;trihydrochloride;1,3,5-triamineBenzene,hydrochloride(1:3);2L4SMV9CDY;BENZENE-1,3,5-TRIAMINE 3HCL;1,3,5-Benzenetriamine, hydrochloride (1:3);MFCD00035496;1,3,5-Triaminobenzene xhydrochloride;C6H12Cl3N3;UNII-2L4SMV9CDY;YSWG181;DTXSID90598648;AMY26499;BCP04790;BCP09952;AKOS007930156;Benzene-1,3,5-triaminetrihydrochloride;AS-41353;SY114639;DB-354165;CS-0105657;A850322;Benzene-1,3,5-triamine--hydrogen chloride (1/3);Benzene-1 pound not3 pound not5-triamine trihydrochloride

Chemical Property of Benzene-1,3,5-triamine trihydrochloride

Chemical Property:

• Melting Point: 129 °C(Solv: chloroform (67-66-3))
• Boiling Point: 440.9 °C at 760 mmHg
• Flash Point: 220.5 °C
• PSA: 78.06000
• LogP: 4.58280
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 231.009680
• Heavy Atom Count: 12
• Complexity: 63.3

Purity/Quality:

>95% ^*data from raw suppliers

Benzene-1,3,5-triaminetrihydrochloride 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=C1N)N)N.Cl.Cl.Cl

Technology Process of Benzene-1,3,5-triamine trihydrochloride

There total 2 articles about Benzene-1,3,5-triamine trihydrochloride 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: 99.0%

1,3,5-benzenetriisocyanate (7373-27-5) → benzene-1,3,5-triamine trihydrochloride (638-09-5,88010-00-8)

Guidance literature:

With hydrogenchloride; at 50 ℃; for 2h;

DOI:10.1080/00397910701555766

Reference yield:

3, 5-dinitroaniline (618-87-1) → benzene-1,3,5-triamine trihydrochloride (638-09-5,88010-00-8)

Guidance literature:

With hydrogenchloride; palladium on activated charcoal; hydrazine; In water;

DOI:10.1002/chem.202000186

Reference yield: 67.0%

2-picolinoyl chloride hydrochloride (39901-94-5) + benzene-1,3,5-triamine trihydrochloride (638-09-5,88010-00-8) → N,N',N''-(benzene-1,3,5-triyl)tripicolinamide

Guidance literature:

With triethylamine; In tetrahydrofuran; at 25 ℃; Inert atmosphere; Cooling with ice;

DOI:10.1021/jacs.0c11927

upstream raw materials:

1,3,5-benzenetriisocyanate

3, 5-dinitroaniline

Downstream raw materials:

N,N',N''-benzene-1,3,5-triyl-tris-toluene-4-sulfonamide

2,6-diamino-4-pyrimidinone

N,N',N''-(2,4,6-trinitro-benzene-1,3,5-triyl)-tris-toluene-4-sulfonamide

N¹,N³,N⁵-tris(4-tert-butylphenyl)benzene-1,3,5-triamine

Refernces

• 1、 Davis, Matthew C.. "Safer conditions for the Curtius rearrangement of 1,3,5- benzenetricarboxylic acid". . p. 3519 - 3528. Retrieved 2008/03/13.