Cyanuric acid

Base Information

• Chemical Name: Cyanuric acid
• CAS No.: 108-80-5
• Deprecated CAS: 134016-52-7,504-19-8,273203-07-9,273203-07-9,504-19-8
• Molecular Formula: C3H3N3O3
• Molecular Weight: 129.075
• Hs Code.: 2933.69 Oral rat LD50: 7700 mg/kg
• European Community (EC) Number: 203-618-0
• ICSC Number: 1313
• NSC Number: 6284
• UNII: H497R4QKTZ
• DSSTox Substance ID: DTXSID7024873
• Nikkaji Number: J2.429E
• Wikipedia: Cyanuric acid
• Wikidata: Q411314
• Metabolomics Workbench ID: 49585
• ChEMBL ID: CHEMBL243087
• Mol file: 108-80-5.mol

Synonyms:cyanuric acid;cyanuric acid, cupric ammonia (+2) salt;cyanuric acid, disodium salt;cyanuric acid, monopotassium salt;cyanuric acid, monosodium salt;cyanuric acid, potassium salt;cyanuric acid, sodium salt;cyanuric acid, trisodium salt;s-triazine-2,4,6-triol

Chemical Property of Cyanuric acid

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 360 °C
• Refractive Index: 1.748
• Boiling Point: 793.4 °C at 760 mmHg
• PKA: 6.88, 11.40, 13.5(at 25℃)
• Flash Point: 433.6 °C
• PSA: 98.58000
• Density: 2.500 g/cm³
• LogP: -2.24850
• Storage Temp.: 0-6°C
• Solubility.: Soluble in sulfuric acid, dimethylformamide, sodium hydroxide, p
• Water Solubility.: 0.3 g/100mL (25 ºC)
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 129.01744097
• Heavy Atom Count: 9
• Complexity: 136

Purity/Quality:

98.5%Min ^*data from raw suppliers

CyanuricAcid(1.0mg/10mLin84:16%ACN:H2O) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Triazines
• Canonical SMILES: C1(=O)NC(=O)NC(=O)N1
• Inhalation Risk: A harmful concentration of airborne particles can be reached quickly when dispersed, especially if powdered.
• Effects of Short Term Exposure: The substance is mildly irritating to the eyes.
• Uses: 1.Used as ultraviolet absorbent for plastic film. 2.Used as chemical reagent, also used in organic synthesis. 3.Mainly used in the production of new bleaching agent, disinfectant, water treatment agent and resin, paint and metal cyanide corrosion inhibitor, etc. 4.Used for the synthesis of chloro derivatives, trichloroisocyanuric acid, dichloro isocyano uric acid sodium or potassium; used for synthesizing cyanuric acid-formaldehyde resin, epoxy resin, antioxidant, coatings, adhesives, pesticides, herbicides, metal cyanide inhibitor and polymer modifier; used in the manufacture of halotrizinol. Diagnostic determination of Melamine and related compounds in kidney tissue. Convenient lab source of cyanic acid gas. In preparation of melamine, sponge rubber, herbicides, dyes, resin, antimicrobial agents. As stabilizer and disinfectant in swimming pool water. Cyanuric acid is used in chemical synthesis (see Section 31.0), as an intermediate for chlorinated bleaches, as a selective herbicide, and as a whitening agent. The parent compound and salts, chlorinated salts, and chlorinated acids are used to disinfect swimming pools, restaurants, and barns. Chlorinated salts hydrolyze in water to form cyanurate and hypochlorous acid. Other monomeric isocyanurates (e.g., triallyl cyanurate) are used as cross-linking components for producing polyurethanes, polyesters, and alkyd resins. Tris (2-hydroxyethyl)isocyanurate is used in wire lacquers. Cyanuric acid is produced in the United States.

Technology Process of Cyanuric acid

There total 471 articles about Cyanuric 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: 91.0%

trichloroisocyanuric acid (87-90-1) + thiophenol (108-98-5) → isocyanuric acid (108-80-5) + diphenyldisulfane (882-33-7)

Guidance literature:

With pyridine; water; benzoic acid; In dichloromethane; acetonitrile; at 40 ℃;

DOI:10.1081/SCC-100104331

Reference yield:

bromine (7726-95-6) + urea (57-13-6) → cyanuric acid (108-80-5,27026-93-3,27941-25-9) + ammonium bromide + nitrogen (7727-37-9) + hydrogen bromide (10035-10-6,12258-64-9)

Guidance literature:

DOI:10.1007/BF01510023

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 2,4,6-tris(4-nitrophenoxy)-1,3,5-triazine (1919-18-2) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + isocyanuric acid (108-80-5)

Guidance literature:

upstream raw materials:

phosgene

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

cyanuric bromide

2,4,6-triamino-s-triazine

Downstream raw materials:

cyanic acid

potassium cyanate

1,3,5-tribromo-1,3,5-triazinane-2,4,6-trione

trichloroisocyanuric acid

Refernces

• 1、 Di, Jun,Lei, Yucheng,Li, Huaming,Liu, Chuntai,Liu, Daobin,Lv, Chade,Mo, Zhao,Song, Yanhua,Xu, Hui,Yan, Pengcheng,Yan, Qingyu,Yu, Qing,Zhu, Xingwang. "An All-Organic D-A System for Visible-Light-Driven Overall Water Splitting". . . Retrieved 2020.
• 2、 Maurino, Valter,Minella, Marco,Sordello, Fabrizio,Minero, Claudio. "A proof of the direct hole transfer in photocatalysis: The case of melamine". . p. 57 - 67. Retrieved 2016.
• 3、 Varghese, Rani,Mohan, Hari,Manoj,Manoj,Aravind, Usha K.,Vandana,Aravindakumar. "Reactions of hydrated electrons with triazine derivatives in aqueous medium". . p. 8171 - 8176. Retrieved 2006.
• 4、 Kristinsson, Haukur,Winkler, Tammo. "Synthese und Reaktionen von O-Cyano-acetonoxim". . p. 970 - 972. Retrieved 1982.
• 5、 Smolka,Friedreich. "-". . . Retrieved 1889.
• 6、 Grundmann,Beyer. "-". . p. 1948. Retrieved 1954.
• 7、 Arya, Kapil,Dandia, Anshu. "Synthesis and cytotoxic activity of trisubstituted-1,3,5-triazines". . p. 3298 - 3304. Retrieved 2007.
• 8、 Menor-Salvan, Cesar,Ruiz-Bermejo, Dra. Marta,Guzman, Marcelo I.,Osuna-Esteban, Susana,Veintemillas-Verdaguer, Sabino. "Synthesis of pyrimidines and triazines in ice: Implications for the prebiotic chemistry of nucleobases". . p. 4411 - 4418. Retrieved 2009.
• 9、 Khandarkhaeva,Aseev,Sizykh,Batoeva. "Oxidation of atrazine by photoactivated potassium persulfate in aqueous solutions". . . Retrieved 2016.
• 10、 Nilo, Marcela C. B. G.,Sim?es, Thais G.,Neto, Claudio Costa. "Using bar infrared spectra and coincidence indexes to study the diversity of solid cyanuric acid structures". . p. 1499 - 1515. Retrieved 2018.