Trithiocyanuric acid

Base Information

• Chemical Name: Trithiocyanuric acid
• CAS No.: 638-16-4
• Deprecated CAS: 2060-82-4,907189-62-2,907189-62-2
• Molecular Formula: C3H3N3S3
• Molecular Weight: 177.275
• Hs Code.: 29309090
• European Community (EC) Number: 211-322-8
• NSC Number: 65480,62071
• UNII: KX0WZE0QAQ
• DSSTox Substance ID: DTXSID3045067
• Nikkaji Number: J9.452H
• Wikidata: Q27282475
• ChEMBL ID: CHEMBL3306346
• Mol file: 638-16-4.mol

Synonyms:trithiocyanuric acid;trithiocyanuric acid, monoammonium salt;trithiocyanuric acid, trisodium salt

Chemical Property of Trithiocyanuric acid

Chemical Property:

• Appearance/Colour: yellow amorphous powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Refractive Index: 1.784
• Boiling Point: 242.5 °C at 760 mmHg
• PKA: 6.35±0.20(Predicted)
• Flash Point: 100.5 °C
• PSA: 155.07000
• Density: 1.78 g/cm³
• LogP: 0.73770
• Storage Temp.: Store below +30°C.
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 176.94891063
• Heavy Atom Count: 9
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

Trithiocyanuric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(=S)NC(=S)NC(=S)N1
• Uses: crosslinking agnt forAR.ECO.CR Reaction of BunLi with trithiocyanuric acid (LH3) in toluene/HMPA yielded a mono-lithiated species, [(LH2Li)·HMPA2]. Metal complexes of trithiocyanuric acid is used for the elucidation of coordination polymer stoichiometry via thermometric titrimetry:.

Technology Process of Trithiocyanuric acid

There total 11 articles about Trithiocyanuric acid 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: 99.8%

2,4,6-trimereaptotriazine, trisodium salt, nonahydrate → Thiocyanuric acid (638-16-4)

Guidance literature:

With Praestol 2500; sulfuric acid; In water; at 60 ℃; for 3 - 3.5h; pH=1.7 - 2.0; Product distribution / selectivity;

Reference yield: 95.4%

disodium salt of trimercapto-s-triazine → Thiocyanuric acid (638-16-4)

Guidance literature:

With hydrogenchloride; In water; for 1h; pH=1.89;

Reference yield: 90.0%

1,3,5-trichloro-2,4,6-triazine (108-77-0) → Thiocyanuric acid (638-16-4)

Guidance literature:

With sodium hydroxide; tiolacetic acid; In ethanol; at 20 ℃; for 4h;

DOI:10.1007/BF00956624

upstream raw materials:

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

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

pyridine thiocyanate

Downstream raw materials:

carbon disulfide

thiocyanic acid

melem

1,3,5-Triazine-2,4,6-trisulfenyltrichloride

Refernces

• 1、 -. "Preparation method and application of 2,4,6-trisulfydryl s-triazine disodium salt aqueous solution". Paragraph 0086-0087. . Retrieved 2020/07/24.
• 2、 -. "THIOL COMPOUND DERIVATIVES, HARDENING COMPOSITIONS CONTAINING THESE DERIVATIVES AND MOLDED ARTICLES THEREOF". Page 67. . Retrieved 2008/06/13.