2,4,6-Tris(trichloromethyl)-1,3,5-triazine

Base Information

• Chemical Name: 2,4,6-Tris(trichloromethyl)-1,3,5-triazine
• CAS No.: 6542-67-2
• Molecular Formula: C6Cl9N3
• Molecular Weight: 433.163
• Hs Code.: 2933699090
• European Community (EC) Number: 614-061-1,639-503-0
• NSC Number: 26769
• DSSTox Substance ID: DTXSID90215727
• Nikkaji Number: J130.866A
• Wikidata: Q83091794
• ChEMBL ID: CHEMBL2286883
• Mol file: 6542-67-2.mol

Synonyms:2,4,6-Tris(trichloromethyl)-1,3,5-triazine;6542-67-2;1,3,5-Triazine, 2,4,6-tris(trichloromethyl)-;s-Triazine, 2,4,6-tris(trichloromethyl)-;2,4,6-TRIS(TRICHLOROMETHYL)-S-TRIAZINE;Acetonitrile, trimer;C6Cl9N3;SCHEMBL79695;C6-Cl9-N3;tris-trichloromethyl-s-triazine;CHEMBL2286883;tris(trichloromethyl)-s-triazine;Acetonitrile, trichloro-, trimer;DTXSID90215727;1,3,5-Trichloromethyl-s-triazine;NSC26769;MFCD00023177;NSC 26769;NSC-26769;2,6-Tris(trichloromethyl)-s-triazine;AKOS000565312;tris(trichloromethyl)-1,3,5-triazine;GS-5477;s-Triazine,4,6-tris(trichloromethyl)-;2,4,6-tris(trichloromethyl)-sym-triazine;FT-0609928;1,5-Triazine, 2,4,6-tris(trichloromethyl)-;H10067;2,4,6-Tris(trichloromethyl)-1,3,5-triazine #

Chemical Property of 2,4,6-Tris(trichloromethyl)-1,3,5-triazine

Chemical Property:

• Vapor Pressure: 1.67E-05mmHg at 25°C
• Refractive Index: 1.612
• Boiling Point: 375.6 °C at 760 mmHg
• Flash Point: 212.7 °C
• PSA: 38.67000
• Density: 1.941 g/cm³
• LogP: 5.35170
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 432.722996
• Heavy Atom Count: 18
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

2,4,6-Tris(trichloromethyl)-1,3,5-triazine 98.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

Technology Process of 2,4,6-Tris(trichloromethyl)-1,3,5-triazine

There total 10 articles about 2,4,6-Tris(trichloromethyl)-1,3,5-triazine 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: 84.0%

hexanenitrile (628-73-9) + trichloroacetonitrile (545-06-2) → 2,4,6-tris(trichloromethyl)-s-triazine (6542-67-2) + 2-pentyl-4,6-bis-trichloromethyl-[1,3,5]triazine (24481-37-6)

Guidance literature:

With hydrogenchloride; 1) 20 deg C, 12 h 2) 100 to 110 deg C, 2 h;

Reference yield: 60.0%

trichloroacetonitrile (545-06-2) + 4-cyanobenzaldehyde (105-07-7) → 2,4-trichloromethyl-(4'-dichloromethyl-phenyl)-6-triazine + 2,4,6-tris(trichloromethyl)-s-triazine (6542-67-2)

Guidance literature:

With hydrogenchloride; aluminum tri-bromide; at -10 - 20 ℃; for 26h;

Reference yield: 27.0%

trichloroacetonitrile (545-06-2) → 2,4,6-tris(trichloromethyl)-s-triazine (6542-67-2) + 6-<3,5-di(tert-butyl)-4-hydroxyphenyl>-2,4-bis(trichloromethyl)-sym-trazene (119294-20-1)

Guidance literature:

With aluminum tri-bromide; 2,6-di-tert-butyl-4-cyanophenol; In diethyl ether; 1.)20 deg C, 12 h 2.)145 deg C, 12 h;

DOI:10.1007/BF00755699

upstream raw materials:

bis-(2,2,2-trichloro-acetimidoyl)-amine

hexanenitrile

trichloroacetonitrile

3-(3,5-di-tert-butyl-4-hydroxy-phenyl)-propionitrile

Downstream raw materials:

phenylhydrazine hydrochloride

2,4,6-tris(methylamino)-1,3,5-triazine

2,4,6-tris(trifluoromethyl)-1,3,5-triazine

N-<4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl>-N'-(3,4-dichlorophenyl)guanidine

Refernces

• 1、 -. "TRIAZINE BASED PHOTOACTIVE COMPOUND CONTAINING OXIME ESTER". Page/Page column 8-9. . Retrieved 2008/06/13.
• 2、 Kelarev, V. I.,Yakh'ya, F. Laauad,Karakhanov, R. A.,Golubeva, I. A.,Vishnyakova, T. P.,Malova, O. V.. "Synthesis and Properties of sym-Triazine Derivatives. 8. Synthesis of Amino and Alkoxy Derivatives of sym-Triazine Containing Fragments of a Sterically-Hindered Phenol from 2,4-Bis(trichloromethyl)-sym-triazines". . p. 556 - 561. Retrieved 2007/10/02.