Cyanuric chloride

Base Information

• Chemical Name: Cyanuric chloride
• CAS No.: 108-77-0
• Deprecated CAS: 190086-22-7
• Molecular Formula: C3Cl3N3
• Molecular Weight: 184.412
• Hs Code.: HYSICAL AND CHEMICAL PROPERTIES PHYSICAL
• European Community (EC) Number: 203-614-9
• ICSC Number: 1231
• NSC Number: 3512
• UN Number: 2670
• UNII: 5U4L4QHD6I
• DSSTox Substance ID: DTXSID6026799
• Nikkaji Number: J5.080F
• Wikipedia: Cyanuric chloride,Cyanuric_chloride
• Wikidata: Q419742
• Metabolomics Workbench ID: 60309
• ChEMBL ID: CHEMBL1530777
• Mol file: 108-77-0.mol

Synonyms:1,3,5-trichlorotriazine;2,4,6-trichlorotriazine;cyanuric chloride;cyanuryl chloride;s-triazine trichloride;trichloro-s-triazine

Chemical Property of Cyanuric chloride

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0.8 mm Hg ( 62.2 °C)
• Melting Point: 154 °C
• Refractive Index: 1.676
• Boiling Point: 190 °C at 760 mmHg
• PKA: -3.26±0.10(Predicted)
• Flash Point: 214.4 °C
• PSA: 38.67000
• Density: 1.757 g/cm³
• LogP: 1.83180
• Storage Temp.: Refrigerator (+4°C)
• Sensitive.: Moisture Sensitive
• Water Solubility.: reacts
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 182.915780
• Heavy Atom Count: 9
• Complexity: 69.3
• Transport DOT Label: Corrosive

Purity/Quality:

99% ^*data from raw suppliers

Cyanuric chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+,C
• Hazard Codes: T+,C
• Statements: 14-22-26-34-43
• Safety Statements: 26-28-36/37/39-45-46-63-28A

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Other Toxic Gases & Vapors
• Canonical SMILES: C1(=NC(=NC(=N1)Cl)Cl)Cl
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is severely irritating to the eyes, skin and respiratory tract. Corrosive on ingestion. Inhalation of the vapour or fume may cause lung oedema. The effects may be delayed. Medical observation is indicated.
• Effects of Long Term Exposure: Repeated or prolonged contact may cause skin sensitization. Repeated or prolonged inhalation may cause asthma.
• Uses: cyanuric chloride is an important fine chemical product, with a wide range of uses, it is the intermediate in pesticide industry, and the manufacture of reactive dyes raw material, it can used as all kinds of organic industrial production additives, such as fluorescent brighteners , textiles shrink-proof agents, surface active agents, it is one of the materials used in the manufacture of defense explosives and rubber accelerator and it is also the material for the synthesis of drugs by the pesticide and pharmaceutical industry. The above information is edited by the lookchem of Tian Ye. Cyanurchloride is an intermediate to manufacture of agrochemicals (triazine herbicides), dyestuffs, optical brighteners, tanning agents, reactive dyes, UV-absorbing agent, softening agents and pharmaceuticals, as well as block-builders for plastics. Product Data Sheet Cyanurchloride is an intermediate to manufacture of agrochemicals, dyestuffs, optical brighteners, tanning agents, softening agents and pharmaceuticals, as well as block-builders for plastics. Reagent for the conversion of alcohols to chlorides and for the immobilization of microorganisms and enzymes.1 Cyanuric Chloride is extensively used in the preparation of the triazine-class pesticides and herbicides. Cyanuric chloride is also used as a precursor to dyes and crosslinking agents due to the react ive chlorine atoms towards nucleophilic substitution reactions. Cyanuric chloride derivatives possess a large spectrum of activities as antibacterial and anticancer agents. Intermediate in the synthesis of active dyes, agricultural products, and drug substances. Reagent in organic synthesis. Coupling agent for nucleic acids and proteins; cyanuric chloride-activated paper is used in capillary and electroblotting applications, dot tests, and hybridization protocols.
• production method: Cyanuric chloride production process usually consists of two steps : chloride cyanogen polymerization and chloride cyanogen preparation . There are many ways to generate chloride cyanogen, such as the synthesis of methyl thiocyanate and chlorine, hydrocyanic acid is dissolved in chloroform and chlorine gas is put in to synthesize , hydrocyanic acid method, sodium cyanide, urea, hydrocyanic acid direct method of chlorine and cyanuric chloride and the like, the current production of industrial cyanuric chloride generally uses sodium cyanide and hydrocyanic acid as raw materials in two ways. 1. Sodium cyanide method : using sodium cyanide as raw materials after the reaction of chlorine and cyanuric chloride, it is polymerized to form cyanuric chloride, it is quenched,then after crystallization ,the product is obtained. Material consumption fixed: sodium cyanide 1073kg/t, chlorine 1700kg/t. 2. The method of hydrocyanic acid :with hydrocyanic acid as raw materials ,chloride cyanogen is produced by the reaction of chlorine, and then use polymerization to generate cyanuric chloride, quench, crystallize , the product is obtained. Material consumption fixed: hydrocyanic acid 500kg/t, chlorine 1200kg/t.

Technology Process of Cyanuric chloride

There total 57 articles about Cyanuric chloride 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%

2,4,6-tris(phenylthio)-1,3,5-triazine (30863-82-2) → 1,3,5-trichloro-2,4,6-triazine (108-77-0)

Guidance literature:

With chlorine; In dichloromethane; at -45 ℃; under 2 Torr; Irradiation;

Reference yield: 90.0%

isocyanuric acid (108-80-5) → 1,3,5-trichloro-2,4,6-triazine (108-77-0)

Guidance literature:

With N,N-diethylaniline; trichlorophosphate; for 3h; Heating;

DOI:10.1080/00397910500464848

Reference yield: 77.0%

cyameluric acid tripotassium salt → 1,3,5-trichloro-2,4,6-triazine (108-77-0)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; at 110 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.dyepig.2020.108946

upstream raw materials:

methyl thiocyanate

hydrogen cyanide

potassium thioacyanate

isocyanuric acid

Downstream raw materials:

2,4,6-tri(pyrrolidin-1-yl)-1,3,5-triazine

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

N-hexyl-6-morpholin-4-yl-N'-phenyl-[1,3,5]triazine-2,4-diamine

2-Butylamino-4-pyrrolidino-6-morpholino-1.3.5-triazin

Refernces

• 1、 Negita et al.. "-". . p. 602. Retrieved 1957.
• 2、 Hechenbleikner. "-". . p. 3032. Retrieved 1954.
• 3、 -. "METHOD OF PRODUCING CYANURIC CHLORIDE". Page 3-5. . Retrieved 2008/06/13.