6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine

Base Information

• Chemical Name: 6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine
• CAS No.: 4514-53-8
• Molecular Formula: C9H8ClN5
• Molecular Weight: 221.649
• Hs Code.: 2933699090
• European Community (EC) Number: 622-222-2
• NSC Number: 211975
• DSSTox Substance ID: DTXSID30274676
• Nikkaji Number: J695.263A
• Wikidata: Q82004100
• ChEMBL ID: CHEMBL139250
• Mol file: 4514-53-8.mol

Synonyms:6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine;4514-53-8;2,4-Diamino-6-(4-chlorophenyl)-1,3,5-triazine;NSC211975;Maybridge1_005965;MLS000532353;SCHEMBL672681;CHEMBL139250;Nc1nc(N)nc(n1)c2ccc(Cl)cc2;HMS558H03;DTXSID30274676;HMS2492E16;MFCD00124382;STK750924;AKOS000735130;CCG-236983;NSC-211975;SB73247;NCGC00245735-01;SMR000137312;TS-00516;CS-0317761;FT-0620802;A18790;SR-01000510907;SR-01000510907-1;2,4-Diamino-6-(4-chlorophenyl)-1,3,5-triazine, 97%;4-AMINO-6-(4-CHLOROPHENYL)-1,3,5-TRIAZIN-2-YLAMINE

Chemical Property of 6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine

Chemical Property:

• Vapor Pressure: 1.17E-10mmHg at 25°C
• Melting Point: 248-252 °C (lit.)
• Refractive Index: 1.702
• Boiling Point: 513.5 °C at 760 mmHg
• Flash Point: 264.4 °C
• PSA: 90.71000
• Density: 1.468 g/cm³
• LogP: 2.51880
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 221.0468230
• Heavy Atom Count: 15
• Complexity: 197

Purity/Quality:

99%, ^*data from raw suppliers

6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NC(=NC(=N2)N)N)Cl

Technology Process of 6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine

There total 3 articles about 6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine 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: 88.0%

4-Cyanochlorobenzene (623-03-0) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → 6-(4-chlorophenyl)-[1,3,5]-triazine-2,4-diamine (4514-53-8)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 179.85 ℃; for 0.166667h; microwave irradiation;

DOI:10.1039/b315956f

Reference yield:

4-Cyanochlorobenzene (623-03-0) + dicyandiamide (127099-85-8,780722-26-1) → 6-(4-chlorophenyl)-[1,3,5]-triazine-2,4-diamine (4514-53-8)

Guidance literature:

With potassium hydroxide; In ethanol; at 80 ℃; for 24h;

Reference yield:

→ 6-(4-chlorophenyl)-[1,3,5]-triazine-2,4-diamine (4514-53-8)

Guidance literature:

4-Chlor-benzonitril,Cyanguanid, KOH, 2-Methoxy-aethanol-(1), Siedetemp., 3h.;

upstream raw materials:

4-Cyanochlorobenzene

dicyandiamide

N-Cyanoguanidine

Refernces

• 1、 Sun, Jingwen,Phatake, Ravindra,Azoulay, Adi,Peng, Guiming,Han, Chenhui,Barrio, Jesús,Xu, Jingsan,Wang, Xin,Shalom, Menny. "Covalent Functionalization of Carbon Nitride Frameworks through Cross-Coupling Reactions". supporting information. p. 14921 - 14927. Retrieved 2018/09/12.
• 2、 Peng, Yanqing,Song, Gonghua. "Microwave-assisted clean synthesis of 6-aryl-2,4-diamino-1,3,5-triazines in [bmim][PF6]". . p. 5313 - 5316. Retrieved 2007/10/03.