2,4-Dichloro-6-phenyl-1,3,5-triazine

Base Information

• Chemical Name: 2,4-Dichloro-6-phenyl-1,3,5-triazine
• CAS No.: 1700-02-3
• Molecular Formula: C9H5Cl2N3
• Molecular Weight: 226.065
• Hs Code.: 2933699090
• European Community (EC) Number: 216-928-6
• NSC Number: 51871
• UNII: N15020UDY0
• DSSTox Substance ID: DTXSID50168780
• Nikkaji Number: J203.086A
• Wikidata: Q27284372
• Mol file: 1700-02-3.mol

Synonyms:2,4-Dichloro-6-phenyl-1,3,5-triazine;1700-02-3;1,3,5-Triazine, 2,4-dichloro-6-phenyl-;2,4-DICHLORO-6-PHENYL-S-TRIAZINE;2,4-Dichloro-6-phenyl-[1,3,5]triazine;C9H5Cl2N3;NSC51871;MFCD00047340;UNII-N15020UDY0;1,3,5-Triazine-2,4-dichloro,6-Phenyl-;N15020UDY0;6-phenyl-2,4-dichloro-s-triazine;EINECS 216-928-6;NSC 51871;NSC-51871;1,3,5-Triazine-2,4-dichloro, 6-phenyl-;Appolo-113;SCHEMBL782301;C9-H5-Cl2-N3;DTXSID50168780;AMY11072;AKOS014984738;2,4-Dichloro-Phenyl-1,3,5-Triazine;CS-W019833;GS-3293;OL10225;SB73685;1,5-Triazine, 2,4-dichloro-6-phenyl-;AC-22501;SY047026;1,3,5-riazine, 2,4-ichloro-6-henyl-;D4805;FT-0660259;S-TRIAZINE, 2,4-DICHLORO-6-PHENYL-;EN300-344687;A811155;W-109698;Q27284372;Z1267671495

Chemical Property of 2,4-Dichloro-6-phenyl-1,3,5-triazine

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 4.06E-07mmHg at 25°C
• Melting Point: gt. 119.0 to 123.0 °C
• Refractive Index: 1.61
• Boiling Point: 427.5 °C at 760 mmHg
• PKA: -1.67±0.10(Predicted)
• Flash Point: 244.9 °C
• PSA: 38.67000
• Density: 1.428 g/cm³
• LogP: 2.84540
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 224.9860526
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dichloro-6-phenyl-1,3,5-triazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)Cl
• Description: 2,4-Dichloro-6-phenyl-1,3,5-triazine is a heterocyclic derivative and can be used as intermediate of synthetic materials.
• Uses: 2,4-Dichloro-6-phenyl-1,3,5-triazine, is a building block as an OLED intermediate for the synthesis of bipolar host materials such as 2,4,6-tris(4-(N,N-diphenylamino)phenyl)-1,3,5-triazine (TDPA–TRZ) for phosphorescent organic light-emitting diodes (PhOLED).

Technology Process of 2,4-Dichloro-6-phenyl-1,3,5-triazine

There total 22 articles about 2,4-Dichloro-6-phenyl-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: 93.0%

bromobenzene (108-86-1,52753-63-6) + 1,3,5-trichloro-2,4,6-triazine (108-77-0) → 2,4-dichloro-6-phenyl-1,3,5-triazine (1700-02-3)

Guidance literature:

bromobenzene; With iodine; magnesium; In tetrahydrofuran; for 2h; Reflux;

1,3,5-trichloro-2,4,6-triazine; In tetrahydrofuran; at 0 ℃; for 8h;

DOI:10.1021/acs.orglett.0c04098

Reference yield: 92.0%

1,3,5-trichloro-2,4,6-triazine (108-77-0) + phenylboronic acid (98-80-6) → 2,4-dichloro-6-phenyl-1,3,5-triazine (1700-02-3)

Guidance literature:

With potassium carbonate; In ethanol; water; at 27 - 30 ℃; for 1h; Irradiation;

DOI:10.1002/aoc.5093

Reference yield: 85.0%

1,3,5-trichloro-2,4,6-triazine (108-77-0) + phenylmagnesium bromide (100-58-3) → 2,4-dichloro-6-phenyl-1,3,5-triazine (1700-02-3)

Guidance literature:

In tetrahydrofuran; at -10 - 20 ℃; Inert atmosphere;

upstream raw materials:

1,3,5-trichloro-2,4,6-triazine

6-phenyl-1,3,5-triazine-2,4(1H,3H)-dione

N-Cyanochloroformamidine

N,N-dimethylbenzamide

Downstream raw materials:

C₂₆H₄₅N₇O₂

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazole

C₅₇H₃₉N₇

C₅₇H₄₁N₅

Refernces

• 1、 Karimi Behzad, Sara,Amini, Mostafa M.,Ghanbari, Mohammad,Janghouri, Mohammad,Anzenbacher, Pavel,Ng, Seik Weng. "Synthesis, Structure, Photoluminescence, and Electroluminescence of Four Europium Complexes: Fabrication of Pure Red Organic Light-Emitting Diodes from Europium Complexes". . p. 3644 - 3654. Retrieved 2017.
• 2、 Cormack, Peter A.G.,Erdemli, Omer C.,Sankey, Stephen W.. "Polymerizable UV absorbers for the UV stabilization of polyesters. I. Design, synthesis and polymerization of a library of UV absorbing monomers". . . Retrieved 2021/10/14.
• 3、 Bhattacharyya, Dipanjan,Sarmah, Bikash Kumar,Nandi, Sekhar,Srivastava, Hemant Kumar,Das, Animesh. "Selective catalytic synthesis of α-alkylated ketones and β-disubstituted ketones via acceptorless dehydrogenative cross-coupling of alcohols". supporting information. p. 869 - 875. Retrieved 2021/02/06.