Trichloroisocyanuric acid(TCICA) - for synthesis , CAS No.87-90-1

CAS: 87-90-1 Cat. No.: T434311 Molecular Weight: 232.41 Beilstein Registry Number: 202022 EC Number: 201-782-8 PubChem CID: 6909

GRADE & PURITY for Synthesis

Synonyms

1,3,5-Trichloro-1,3,5-triazine-2,4,6-trione | TCCA | Isocyanuric chloride | Bleaching solution | 1,3,5-Trichlorohexahydro-1,3,5-triazine-2,4,6-trione | Symclosene

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

1, 3, 5-Trichloro-1, 3, 5-triazine-2, 4, 6-trione | TCCA | Isocyanuric chloride | Bleaching solution | 1, 3, 5-Trichlorohexahydro-1, 3, 5-triazine-2, 4, 6-trione | Symclosene

Specifications & Purity

for synthesis

Storage

Protected from light, Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

for Synthesis

Names and Identifiers

• Canonical Smiles: C1(=O)N(C(=O)N(C(=O)N1Cl)Cl)Cl
• IUPAC Name: 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
• InChIKey: YRIZYWQGELRKNT-UHFFFAOYSA-N
• INCHI: 1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11
• Isomeric SMILES: C1(=O)N(C(=O)N(C(=O)N1Cl)Cl)Cl
• WGK Germany: 2
• RTECS: XZ1925000
• PubChem CID: 6909
• UN Number: 2468
• Packing Group: II
• Molecular Weight: 232.41
• Beilstein: 202022
• Reaxy-Rn: 202022

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass Triazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: Triazinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazinones
• Alternative Parents: 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triazinone - 1,3,5-triazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triazinones. These are compounds containing a triazine ring which bears a ketone group a carbon atom.
• External Descriptors: organochlorine compound - 1,3,5-triazinanes

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in chlorocarbon, acetonitrile, acetone, water (12 g/L).
• Sensitivity: Moisture sensitive，Light sensitive
• Flash Point(°F): 482°F
• Flash Point(°C): >250°C
• Melt Point(°C): 245-251°C
• Molecular Weight: 232.410 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 230.901 Da
• Monoisotopic Mass: 230.901 Da
• Topological Polar Surface Area: 60.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 202.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

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2. Zhizhuo Chai, Jingquan Wang, Yixue Dai, Erdeng Du, Hongguang Guo.  (2023)  Synergy between UV light and trichloroisocyanuric acid on methylisothiazolinone degradation: Performance, kinetics and degradation pathway..  ENVIRONMENTAL RESEARCH,      [PMID:37481058] [10.1016/j.envres.2023.116693]

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7. Aiting Chen, Nana Tang, Yanping Wei, Shuting Shi, Chuanqin Zhou, Quanguo He, Wu Wang.  (2024)  A novel approach to simultaneous and sensitive detection of epinephrine and folic acid with nickel-metal organic framework and reduced graphene oxide based electrochemical sensor.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.112526]

8. Aiting Chen, Nana Tang, Yanping Wei, Shuting Shi, Chuanqin Zhou, Quanguo He, Jianhua Ding.  (2024)  Efficient and environmentally friendly uric acid voltametric sensor based on Ni-MOF and carboxylated multi-walled carbon nanotubes nanocomposites.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2024.113388]

9. Hong Wang, Jin Lin, Peihua Zhao, Yanzhong Wang.  (2025)  Ligand exchange-induced defects of metal-organic frameworks enhancing the oxygen evolution reaction.  FUEL,      [PMID:] [10.1016/j.fuel.2025.134961]

10. Huiping Yang, Yinning Lin, Qian Mo, Zhaoquan Li, Fan Yang, Xinchun Li.  (2024)  Monitoring Enzymatic Reaction Kinetics and Activity Assays in Confined Nanospace.  ANALYTICAL CHEMISTRY,      [PMID:39024010] [10.1021/acs.analchem.4c01901]

11. Yiya Wei, Yang Yang, Baiyang Chen, Bingcheng Yang.  (2021)  Green detection of trace cyanuric acid and free chlorine together via ion chromatography.  CHEMOSPHERE,      [PMID:34952027] [10.1016/j.chemosphere.2021.133378]

12. Ya-qi Li, Qiu-zhe Chen, Huang Huang.  (2026)  Characteristics of Disinfection Byproduct Formation in Outdoor Swimming Pool Water: The Effect of Solar Photolysis of Chlorine Disinfectants.  Water Cycle,      [PMID:] [10.1016/j.watcyc.2026.02.001]

13. Yang Wang, Jie Zhou, Xiaoyang Chen, Yixin Cheng, Xiaohang Jiang, Ruo Qi, Liangquan Jia, Guangwu Zhao.  (2026)  Assessing Seed Vigor for Direct-Seeded Rice: A Novel High-Temperature Germination Protocol for Late-Season Cropping.  Agriculture-Basel,  16  (5): (512).  [PMID:] [10.3390/agriculture16050512]