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Details

Stereochemistry ACHIRAL
Molecular Formula C3Cl3N3O3
Molecular Weight 232.409
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SYMCLOSENE

SMILES

ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O

InChI

InChIKey=YRIZYWQGELRKNT-UHFFFAOYSA-N
InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11

HIDE SMILES / InChI
Molecular Formula C3Cl3N3O3
Molecular Weight 232.409
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Sources: DOI: 10.1002/047084289X.rt209
Curator's Comment: description was created based on several sources, including http://www.doiserbia.nb.rs/img/doi/0352-5139/2012/0352-51391200028H.pdf

Trichloroisocyanuric acid (1,3,5-trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-tri-one or TCCA) is an N-halo compound which has been known since 1902. It has been used primarily as a disinfectant in swimming pools and water treatment as bleaching agent and bactericide. Recently, TCCA has become attractive candidate as a homogeneous catalyst in organic transformations due to its lack of volatility, commercial availability, low cost and ease of handling. And is also used as a bleaching agent in the textile industry

Approval Year

Unknown
139594
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
A very mild and chemoselective oxidation of alcohols to carbonyl compounds.
2001 Sep 20
Flow injection chemiluminescence determination of hydrazine by oxidation with chlorinated isocyanurates.
2002 Oct 16
Flow-injection chemiluminescence determination of chlorinated isocyanuric acids.
2003 Feb
Trichloroisocyanuric/TEMPO oxidation of alcohols under mild conditions: a close investigation.
2003 Jun 13
A highly enantioselective phase-transfer catalyzed epoxidation of enones with a mild oxidant, trichloroisocyanuric acid.
2003 Nov 7
Comparison of the disinfection efficacy of chlorine-based products for inactivation of viral indicators and pathogenic bacteria in produce wash water.
2003 Sep
Flow-injection determination of isoniazid using sodium dichloroisocyanurate- and trichloroisocyanuric acid-luminol chemiluminescence systems.
2004 Jun
Effects of selected biocides used in the disinfection of cooling towers on toxicity and bioaccumulation in Artemia larvae.
2005 Dec
Flow-injection potentiometric determination of triiodide by plasticized poly(vinyl chloride) membrane electrodes and its application to the determination of chlorine-containing disinfectants.
2005 Mar 15
N,N-dichlorotaurine: chemical and bactericidal properties.
2005 Oct
[Sodium dichlorinated isocyanuric acid and trichloroisocyanuric acid for removing cells of Phaeochystis globosa].
2006 May
Synthesis of paromomycin derivatives modified at C(5'') to selectively target bacterial rRNA.
2007 Feb 26
Response of the freshwater Alga chlorella vulgaris to trichloroisocyanuric acid and ciprofloxacin.
2008 Jan
Impregnated silica nanoparticles for the reactive removal of sulphur mustard from solutions.
2009 Jan 30
Iridium/monodentate phosphoramidite catalyzed asymmetric hydrogenation of N-aryl imines.
2009 Jun 24
Characterization of the products formed by the reaction of trichlorocyanuric acid with 2-propanol.
2009 Nov
Consumer exposure to biocides--identification of relevant sources and evaluation of possible health effects.
2010 Feb 3
Patents

Patents

04324892
4
04380501
2
05260261
2
05411966
3
05491239
3
06723719
2
06900200
4
06903091
2
07067537
5
07528136
2
07790747
8
08158634
3
08278282
2
08487108
8
JP2000351752A
7
JP2008189560A
2
JPH01128905A
2
JPH02147697A
2
JPH0291172A
2
JPH08231314A
2
JPH0826917A
3
JPS5663432A
3
JPS57183742A
2
JPS60136549A
2
JPS6019773A
2
JPS61179203A
3
JPS6185483A
2
JPS62141037A
2
JPS6388108A
2
JPS6431703A
3

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
DNA damage has been evaluated on RTG-2 cultures by means of an in vitro assay based on the ability of PicoGreen fluorochrome to interact preferentially with dsDNA, and the results indicated that trichloroisocyanuric acid (Symclosene) induced DNA strand breaks at concentrations above 1.2 mg/l, equivalent to 1/50-EC(50(48))
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:36:52 GMT 2023
Edited
by admin
on Fri Dec 15 16:36:52 GMT 2023
Record UNII
RL3HK1I66B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SYMCLOSENE
HSDB   INN   USAN  
USAN   INN  
Official Name English
SYMCLOSENE [USAN]
Common Name English
TRICHLOROISOCYANURIC ACID [MI]
Common Name English
NSC-405124
Code English
symclosene [INN]
Common Name English
TRICHLOROISOCYANURIC ACID
MI  
Systematic Name English
1,3,5-TRICHLORO-S-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE
Systematic Name English
1,3,5-TRIAZINE, 2,4,6(1H,3H,5H)-TRIONE, 1,3,5-TRICHLORO-
Common Name English
SYMCLOSENE [HSDB]
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 81405
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
NCI_THESAURUS C28394
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID2026523
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
RXCUI
2375531
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
NCI_THESAURUS
C72647
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
ECHA (EC/EINECS)
201-782-8
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
WIKIPEDIA
TRICHLOROISOCYANURIC ACID
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
EVMPD
SUB10790MIG
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
PUBCHEM
6909
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
FDA UNII
RL3HK1I66B
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
SMS_ID
100000082971
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
DRUG CENTRAL
3629
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
MESH
C051718
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
HSDB
885
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
ChEMBL
CHEMBL1698868
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
NSC
405124
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
INN
1807
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
CHEBI
33015
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
MERCK INDEX
m11076
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY Merck Index
CAS
87-90-1
Created by admin on Fri Dec 15 16:36:52 GMT 2023 , Edited by admin on Fri Dec 15 16:36:52 GMT 2023
PRIMARY
Related Record Type Details
Structure of SYMCLOSENE
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