Trichloroisocyanuric acid

Base Information

• Chemical Name: Trichloroisocyanuric acid
• CAS No.: 87-90-1
• Deprecated CAS: 1062228-50-5,499583-31-2,499583-31-2
• Molecular Formula: C3Cl3N3O3
• Molecular Weight: 232.41
• Hs Code.: 2933.69
• European Community (EC) Number: 201-782-8
• ICSC Number: 1675
• NSC Number: 760417,405124
• UN Number: 2468
• UNII: RL3HK1I66B
• DSSTox Substance ID: DTXSID2026523
• Nikkaji Number: J4.283H
• Wikipedia: Trichloroisocyanuric_acid
• Wikidata: Q419127
• NCI Thesaurus Code: C72647
• Metabolomics Workbench ID: 54778
• ChEMBL ID: CHEMBL1698868
• Mol file: 87-90-1.mol

Synonyms:trichloroisocyanuric acid

Chemical Property of Trichloroisocyanuric acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.001-0.002Pa at 20-25℃
• Melting Point: 249-251 °C(lit.)
• Boiling Point: 272.3 °C at 760 mmHg
• PKA: -4.49±0.20(Predicted)
• Flash Point: 118.5 °C
• PSA: 66.00000
• Density: 2.19 g/cm³
• LogP: -0.82260
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Solubility.: Chloroform (Sparingly, Heated), DMSO (Sparingly)
• Water Solubility.: 1.2 g/100mL (25 ºC)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 230.900524
• Heavy Atom Count: 12
• Complexity: 202
• Transport DOT Label: Oxidizer

Purity/Quality:

90% ^*data from raw suppliers

Trichloroisocyanuric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): O, Xn, N
• Hazard Codes: O,Xn,N
• Statements: 8-22-31-36/37-50/53-36/37/38
• Safety Statements: 8-26-41-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Uses -> Biocides/Disinfectants
• Canonical SMILES: C1(=O)N(C(=O)N(C(=O)N1Cl)Cl)Cl
• Inhalation Risk: A harmful concentration of airborne particles can be reached quickly when dispersed.
• Effects of Short Term Exposure: The substance is severely irritating to the eyes and respiratory tract. The substance is mildly irritating to the skin. Corrosive on ingestion. Inhalation of dust may cause lung oedema.
• Uses: The product has a strong sterilization, bleaching effect. It is widely used as the high-efficiency disinfectant in civilian health, livestock breeding and plant protection. It can also be used as the washing bleacher of cotton and hemp fiber fabric, wool shrink proofing agents; it can also be used for rubber chlorination, battery materials, organic synthesis industry and the bleach of dry laundry. It is used for the sterilization and disinfection of various kinds of water such as drinking water, swimming pool water, industrial circulating water, and sewage. It is an anti-clotting drug. Trichloroisocyanuric Acid is a disinfectant and anti-bacterial. It can also be used in the synthesis of napthols. Chlorinating agent, disinfectant, industrial deodorant. In household cleansers. In removing oil and protein in stainless steel. In nonshrink treatment for wool. Oxidant and chlorinating reagent in organic synthesis.

Technology Process of Trichloroisocyanuric acid

There total 13 articles about Trichloroisocyanuric 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: 100.0%

cyanuric acid (108-80-5,27026-93-3,27941-25-9) → trichloroisocyanuric acid (87-90-1)

Guidance literature:

With chlorine; calcium carbonate; In water;

Reference yield: 93.65%

sodium cyanurate (3047-33-4) → trichloroisocyanuric acid (87-90-1)

Guidance literature:

With chlorine; In toluene; at 30 - 40 ℃; pH=3 - 3.5; Solvent; pH-value; Temperature; Large scale;

Reference yield:

chlorine isocyanate (13858-09-8) → nitrogen trichloride (10025-85-1) + carbon dioxide (124-38-9,18923-20-1) + trichloroisocyanuric acid (87-90-1) + 1,3-dichloro-[1,3,5]triazinane-2,4,6-trione (2782-57-2) + 1,3-dichloro-1,3-diazetidine-2,4-dione (24604-62-4)

Guidance literature:

slow react. above the melting point, fast at room temp., dichlorouretidindione formed by vac. sublimation (50.degrre.C, 0.1 Torr), di- and trichlocyanuric acid yielded by 48h sublimation of the residue at 95-160°C;

DOI:10.1007/BF01151735

upstream raw materials:

cyanuric acid

N'-carbonyl-N,N-dichloro-urea

isocyanuric acid

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

Downstream raw materials:

hypochloric acid

isocyanuric acid

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

4,4'-dichlorodiphenyl disulfide

Refernces

• 1、 -. "Preparation method of trichloroisocyanuric acid". Paragraph 0034-0069. . Retrieved 2017/10/26.
• 2、 -. "A method for producing trichloro isocyanuric acid powder mechanical device (by machine translation)". Paragraph 0014-0016. . Retrieved 2017/06/14.