Sodium dichloroisocyanurate - ≥96% , CAS No.2893-78-9

CAS: 2893-78-9 Cat. No.: S109086 Molecular Weight: 219.95 EC Number: 220-767-7

GRADE & PURITY ≥96%

Synonyms

Sodium dichloro-s-triazinetrione | sodium 3,5-dichloro-2,4,6-trioxo-1,3,5-triazinan-1-ide | Dichloro-s-triazinetrione sodium salt | Dichloroisocyanuric Acid Sodium Salt

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

N-monochlorination and dehydrochlorination of amino esters Chlorination to detect ammonium via formation of colored zebra-bands in a deteting tube Synthesis of antimicrobial polyurethane additives to control biofilm ? Preparation of bromochloroisocyanurate for electrophilic cobromination of alkenes and bromination of arenes Studies in regard to its antimicrobial activity on fresh produce and for emergency disinfectant of contaminated drinking water

Specifications

Synonyms

Sodium dichloro-s-triazinetrione | sodium 3, 5-dichloro-2, 4, 6-trioxo-1, 3, 5-triazinan-1-ide | Dichloro-s-triazinetrione sodium salt | Dichloroisocyanuric Acid Sodium Salt

Specifications & Purity

≥96%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504758994
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758994
• Canonical Smiles: C1(=O)[N-]C(=O)N(C(=O)N1Cl)Cl.[Na+]
• IUPAC Name: sodium;1,3-dichloro-1,3-diaza-5-azanidacyclohexane-2,4,6-trione
• InChIKey: MSFGZHUJTJBYFA-UHFFFAOYSA-M
• INCHI: 1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1/p-1
• Isomeric SMILES: C1(=O)[N-]C(=O)N(C(=O)N1Cl)Cl.[Na+]
• WGK Germany: 2
• RTECS: XZ1900000
• Alternate CAS: 2782-57-2
• UN Number: 2465
• Packing Group: II
• Molecular Weight: 219.95
• Reaxy-Rn: 4056155

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 Organic metal halides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triazinone - 1,3,5-triazine - Heteroaromatic compound - Organic alkali metal salt - Azacycle - Organic metal halide - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organic sodium salt - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen 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: Not available

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(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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 water
• Sensitivity: Moisture, Heat and Air sensitive
• Melt Point(°C): >300°C
• Molecular Weight: 219.940 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 218.921 Da
• Monoisotopic Mass: 218.921 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 225.000
• 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: 2

XLogP3

References

1. Wenxuan Huang, Yi Li, Feng Wang, Leiyu Feng, Dongbo Wang, Yingqun Ma, Yang Wu, Jingyang Luo.  (2023)  Disinfectant sodium dichloroisocyanurate synergistically strengthened sludge acidogenic process and pathogens inactivation: Targeted upregulation of functional microorganisms and metabolic traits via self-adaptation.  WATER RESEARCH,      [PMID:37918196] [10.1016/j.watres.2023.120787]

2. Zirong Li, Jiancheng Luo, Jun Wang, Yuanyuan Yu, Qiang Wang, Ping Wang.  (2023)  An eco-friendly technique for shrink-resist finishing of dyed wool via combined use of hydrolase and cyclamate.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2023.139276]

3. Qin Guofu, Zou Keting, He Fengrui, Shao Ji, Zuo Bei, Liu Jia, Liu Ruixiao, Yang Bixia, Zhao Guipeng.  (2023)  Simultaneous determination of volatile phenol, cyanide, anionic surfactant, and ammonia nitrogen in drinking water by a continuous flow analyzer.  Scientific Reports,  13  (1): (1-7).  [PMID:36725871] [10.1038/s41598-023-28776-w]

4. Haoyu Cai, Guojun Weng, Jianjun Li, Gaofeng Wu, Jian Zhu, Junwu Zhao.  (2025)  BDT mediated asymmetric deposition of Ag on gold nanobipyramids for SERS detection of drug residues in aquaculture water.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.136558]

5. Quanfa Zhong, Wangbao Gong, Guangjun Wang, Jun Xie, Jianshu Zhao, Qinghai Jin, Xiaoming Ma, Zhangxin Wang, Di He.  (2025)  Unravelling molecular transformation of dissolved organic matter in UV/Dichloroisocyanurate, UV/Chlorine, and UV/Chloramine processes using high Resolution mass spectrometry.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.135032]

6. Zou Peizhuo, Yang Qian, Wang Hailiang, Xie Guosi, Cao Zhi, Chen Xing, Gao Wen, Huang Jie.  (2020)  In vitro disinfection efficacy and clinical protective effects of common disinfectants against acute hepatopancreatic necrosis disease (AHPND)-causing Vibrio isolates in Pacific white shrimp Penaeus vannamei.  JOURNAL OF MICROBIOLOGY,  58  (8): (675-686).  [PMID:32720097] [10.1007/s12275-020-9537-1]