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

Base Information

• Chemical Name: 6-Chloro-1,3,5-triazine-2,4(1H,3H)-dione
• CAS No.: 69125-10-6
• Molecular Formula: C3H2 Cl N3 O2
• Molecular Weight: 147.521
• European Community (EC) Number: 273-888-2
• DSSTox Substance ID: DTXSID40219194
• Nikkaji Number: J313.838K
• Wikidata: Q27105395
• Metabolomics Workbench ID: 52839
• Mol file: 69125-10-6.mol

Synonyms:6-Chloro-1,3,5-triazine-2,4(1H,3H)-dione;69125-10-6;6-chloro-1H-1,3,5-triazine-2,4-dione;6-chloro-1,3,5-triazine-2,4-diol;1,3,5-Triazine-2,4(1H,3H)-dione, 6-chloro-;2-Chloro-4,6-dihydroxy-1,3,5-triazine;EINECS 273-888-2;C3H2ClN3O2;C08736;CHEBI:1040;SCHEMBL1425946;C3-H2-Cl-N3-O2;DTXSID40219194;2-chloro-4,6-dihydroxy-s-triazine;MFCD17392594;AKOS024464575;DS-9832;SB73724;2,4-dihydroxy-6-chloro-1,3,5-triazine;CS-0005522;C76185;A866904;Q27105395;6-chloro-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione

Chemical Property of 6-Chloro-1,3,5-triazine-2,4(1H,3H)-dione

Chemical Property:

• Vapor Pressure: 7.2E-15mmHg at 25°C
• Boiling Point: 597.4°C at 760 mmHg
• PKA: 4.15±0.70(Predicted)
• Flash Point: 315.1°C
• PSA: 79.13000
• Density: 2.1g/cm³
• LogP: -0.06380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 146.9835540
• Heavy Atom Count: 9
• Complexity: 199

Purity/Quality:

99%, ^*data from raw suppliers

6-Chloro-1,3,5-triazine-2,4(1H,3H)-dione 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Chloro-1,3,5-triazine-2,4(1H,3H)-dione

There total 3 articles about 6-Chloro-1,3,5-triazine-2,4(1H,3H)-dione 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:

6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine (1912-24-9,93616-39-8) → ammelide (645-93-2) + 2,4-dihydroxy-6-chloro-1,3,5-triazine (69125-10-6)

Guidance literature:

With ozone; In water; at 20 - 400 ℃; under 172517 Torr; Further Variations:; Temperatures; UV irradiation and/or ozone used or not used; Product distribution; UV-irradiation;

DOI:10.1039/b211046f

Reference yield:

→ 2,4-dihydroxy-6-chloro-1,3,5-triazine (69125-10-6)

Guidance literature:

aus 2,4,6-Trichlor-1,3,5-triazin und wss.NaOH;

DOI:10.1039/jr9630004130

Reference yield:

1,3,5-trichloro-2,4,6-triazine (108-77-0) → 6-chloro-s-triazine-2,4-dione (69125-10-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1016/j.bmcl.2006.04.036

upstream raw materials:

6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine

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

Downstream raw materials:

4,6-dichloro-N-methyl-1,3,5-triazin-2-amine

6-Benzylamino-1H-[1,3,5]triazine-2,4-dione

6-p-Tolylamino-1H-[1,3,5]triazine-2,4-dione

Refernces

• 1、 Horikoshi, Satoshi,Wada, Yoshinori,Watanabe, Natsuko,Hidaka, Hisao,Serpone, Nick. "Near-quantitative mineralization of two refractory triazines under hydrothermal-supercritical aqueous conditions assisted by ozone and UV/ozone". . p. 1216 - 1223. Retrieved 2007/10/03.