Trichloroisocyanuric Acid supplier

Name
Trichloroisocyanuric acid
EINECS 201-782-8
CAS No. 87-90-1
Density 2.19 g/cm³
Solubility 1.2 g/100mL (25 °C) in water
Melting Point 249-251 °C(lit.)
Formula C₃Cl₃N₃O₃
Boiling Point 272.3 °C at 760 mmHg
Molecular Weight 232.41
Flash Point 118.5 °C
Transport Information UN 2468 5.1/PG 2
Appearance white to light yellow crystal powder
Safety 8-26-41-60-61
Risk Codes 8-22-31-36/37-50/53
Molecular Structure
Hazard Symbols O, Xn, N
Synonyms 1,3, 5-Trichloro-s-triazinetrione;s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-;Symclosen;ACL 85;1,3,5-Trichloro-s-triazinetrione;Trichloroisocyanic acid;1,3,5-Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione;EPA Pesticide Chemical Code 081405;Trichloroisocyanurate;Trichlorinated isocyanuric acid;1,3,5-Trichloroisocyanuric acid;Trichloro-s-triazinetrione, dry;Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione;N,N,N;1,3, 5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-;Trichlorocyanuric acid;Sincloseno [INN-Spanish];1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5- trichloro-;Chloreal;Neochlor 90;1,3,5-Trichloro-2,4, 6-trioxohexahydro-s-triazine;1,3,5-trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione;Fi Clor 91;Trichloro-s-triazinetrione;Isocyanuric chloride;1,3, 5-Triazine-2,4,6 (1H,3H,5H)-trione, 1,3,5-trichloro-;Trichlorisocyanursaeure;CBD 90;ACL 90;Fichlor 91;Hi-Lite 90G;1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-;N,N,N-Trichloroisocyanuric acid;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione;Symclosenum [INN-Latin];1,3, 5-Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione;s-Triazine-2,4,6 (1H,3H,5H)-trione, 1,3,5-trichloro-;Kyselina trichloisokyanurova;Slow Dissolving Chlorine Tablets;1,3,5-Trichloro-2,4,6-trioxohexahydro-s-triazine;TCCA;Trichloroisocyanuric Acid(TCCA);TCCA (Trichloro Isocyanuric Acid);
PSA 66.00000
LogP -0.82260

Synthetic route

: 108-80-5
cyanuric acid

: 87-90-1
trichloroisocyanuric acid

Conditions

Conditions	Yield
With chlorine; calcium carbonate In water	100%
With hypochlorous anhydride In water at 25℃; for 6h; pH=3.5; pH-value; Temperature; Large scale;	98%
With sodium hydroxide; chlorine unter der Einwirkung von UV-Licht;
With potassium hydroxide; chlorine unter der Einwirkung von UV-LIcht;

: 3047-33-4
sodium cyanurate

: 87-90-1
trichloroisocyanuric acid

Conditions

Conditions	Yield
With chlorine In toluene at 30 - 40℃; pH=3 - 3.5; Solvent; pH-value; Temperature; Large scale;	93.65%
With chlorine at 10 - 23℃; Temperature; Flow reactor; Large scale;
With chlorine; sodium hydroxide In methanol; water at 5 - 65℃; for 0.166667h; pH=2.5 - 3; Solvent; Temperature; Reagent/catalyst;	12.98 g

: 26231-96-9
N'-carbonyl-N,N-dichloro-urea

: 87-90-1
trichloroisocyanuric acid

: 108-80-5
isocyanuric acid

: 87-90-1
trichloroisocyanuric acid

Conditions

Conditions	Yield
With potassium hydroxide; chlorine
With chlorine; calcium hydroxide In water at 40 - 50℃; pH=4;

: 108-80-5
cyanuric acid

A: 87-90-1
trichloroisocyanuric acid

B: 2782-57-2
1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

C: chloro-isocyanuric acid

Conditions

Conditions	Yield
In water reactn. with single positive charged Cl;
In water reactn. with single positive charged Cl;

...Expand

: 17497-85-7
1,3,5-tribromo-1,3,5-triazinane-2,4,6-trione

A: 87-90-1
trichloroisocyanuric acid

B: 13863-41-7
bromine chloride

Conditions

Conditions	Yield
90°C;	A >99 B n/a

: 13858-09-8
chlorine isocyanate

: sodium fluoride

A: 353-50-4
Carbonyl fluoride

B: 201230-82-2
carbon monoxide

C: 87-90-1
trichloroisocyanuric acid

Conditions

Conditions	Yield
byproducts: NaCl, SiF4; with dry NaF, 300°C;

...Expand

: 13858-09-8
chlorine isocyanate

A: 10025-85-1
nitrogen trichloride

B: 124-38-9
carbon dioxide

C: 87-90-1
trichloroisocyanuric acid

D: 2782-57-2
1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

E: 24604-62-4
1,3-dichloro-1,3-diazetidine-2,4-dione

Conditions

Conditions	Yield
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;

...Expand

: 13858-09-8
chlorine isocyanate

A: 26231-96-9
N'-carbonyl-N,N-dichloro-urea

B: 87-90-1
trichloroisocyanuric acid

Conditions

Conditions	Yield
With alkali fluorides in presence of anhyd. alkali fluorides, 50 Torr, room temp.;

: 108-80-5
cyanuric acid

: 7782-50-5
chlorine

: 87-90-1
trichloroisocyanuric acid

Conditions

Conditions	Yield
vigorous stirring, 0°C; filtering, drying, sublimated in vac. at 170°C;
vigorous stirring, 0°C; filtering, drying, sublimated in vac. at 170°C;

: 27694-85-5
triiodoisocyanuric acid

: 7782-50-5
chlorine

A: 87-90-1
trichloroisocyanuric acid

B: 7553-56-2
iodine

Conditions

Conditions	Yield
room temp.;

...Expand

: 24604-62-4
1,3-dichloro-1,3-diazetidine-2,4-dione

: 87-90-1
trichloroisocyanuric acid

Conditions

Conditions	Yield
above the melting point at atmospheric pressure;
In acetonitrile

: 87-90-1
trichloroisocyanuric acid

: 6-bromo-7-fluoro-4-{[(1S)-1-(tetrahydro-2H-pyran-4-yl)ethyl]amino}-3-quinolinecarboxamide

: (S)-8-bromo-7-fluoro-1-(1-(tetrahydro-2H-pyran-4-yl)ethyl)-1H-imidazo[4,5-c]quinolin-2(3H)-one

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In methanol at 0 - 20℃; for 0.333333h; Inert atmosphere;	100%

: 87-90-1
trichloroisocyanuric acid

: 94-18-8
Benzyl 4-hydroxybenzoate

: 78767-55-2
benzyl 4-formylbenzoate

Conditions

Conditions	Yield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate In dichloromethane for 0.0833333h;	99%

: 87-90-1
trichloroisocyanuric acid

: 6-bromo-4-[(cis-3-methoxycyclobutyl)amino]quinoline-3-carboxamide

: 8-bromo-1-(cis-3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In methanol at 0 - 20℃; for 18h; Inert atmosphere;	99%

: 87-90-1
trichloroisocyanuric acid

: 1584705-57-6
2-(2-((trifluoromethyl)thio)phenyl)pyridine

: 2-(2-((trifluoromethyl)sulfinyl)phenyl)pyridine

Conditions

Conditions	Yield
Stage #1: 2-(2-((trifluoromethyl)thio)phenyl)pyridine In dichloromethane; acetonitrile at 20℃; for 0.0833333h; Schlenk technique; Inert atmosphere; Stage #2: trichloroisocyanuric acid In dichloromethane; acetonitrile at 20℃; for 1h; Schlenk technique; Inert atmosphere;	99%

: 87-90-1
trichloroisocyanuric acid

: 6-bromo-7-fluoro-4-(tetrahydro-2H-pyran-4-ylamino)quinoline-3-carboxamide

: 8-bromo-7-fluoro-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In methanol at 0 - 20℃; for 0.25h; Inert atmosphere;	98%

: 87-90-1
trichloroisocyanuric acid

: 10040-96-7
1-(4-bromophenyl)-1H-imidazole

: 2-hydroxy-4,6-bis(4-bromophenylimidazolium)-1,3,5-triazinide dichloride

Conditions

Conditions	Yield
In acetonitrile at 0 - 110℃; for 20.5h;	96%

: 695-98-7
2,3,5-trimethyl-pyridine

: 87-90-1
trichloroisocyanuric acid

: 55-21-0
benzamide

: 142885-89-0
2-chloromethyl-3,5-dimethyl-4-nitro-pyridine N-oxide

Conditions

Conditions	Yield
With sodium hydroxide In water	93%

...Expand

: 87-90-1
trichloroisocyanuric acid

: 1376143-54-2
dicloroiodoisocyanuric acid

Conditions

Conditions	Yield
Stage #1: trichloroisocyanuric acid With iodine at 170℃; for 18h; Stage #2: at 220℃; for 24h;	93%

: 87-90-1
trichloroisocyanuric acid

: 108-98-5
thiophenol

A: 108-80-5
isocyanuric acid

B: 882-33-7
diphenyldisulfane

Conditions

Conditions	Yield
With pyridine; water; benzoic acid In dichloromethane; acetonitrile at 40℃;	A n/a B 91%

...Expand

: 6651-36-1
1-(Trimethylsilyloxy)cyclohexene

: 87-90-1
trichloroisocyanuric acid

A silyl enol ether: silyl enol ether

B: 822-87-7
2-Chlorocyclohexanone

Conditions

Conditions	Yield
With hydrogenchloride In diethyl ether; ethyl acetate	A n/a B 91%
With hydrogenchloride In diethyl ether; ethyl acetate	A n/a B 91%

...Expand

: 87-90-1
trichloroisocyanuric acid

: 27694-85-5
triiodoisocyanuric acid

Conditions

Conditions	Yield
With iodine at 180 - 230℃; for 72h;	90%
With iodine at 180 - 230℃; for 72h; Sealed tube;	90%
With iodine Sealed tube; Heating;

: 87-90-1
trichloroisocyanuric acid

: 106-45-6
para-thiocresol

A: 103-19-5
di(p-tolyl) disulfide

B: 108-80-5
isocyanuric acid

Conditions

Conditions	Yield
With pyridine; water; benzoic acid In dichloromethane; acetonitrile at 40℃;	A 89% B n/a

...Expand

: 87-90-1
trichloroisocyanuric acid

: 1321459-27-1
2-(3-hydroxypropoxy)ethyl nitrate

: 1321459-22-6
3-(2-(nitrooxy)ethoxy)propanoic acid

Conditions

Conditions	Yield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; sodium bromide In acetone at 0 - 20℃; for 3h;	89%

: 87-90-1
trichloroisocyanuric acid

: potassium-2-phenyl-3-(trifluoro-l4-boraneyl)-1,2-dihydrobenzo[e][1,2]-azaborinine

: 3-chloro-2-phenyl-1,2-dihydrobenzo[e][1,2]azaborinine

Conditions

Conditions	Yield
In diethyl ether; water at 20℃; Inert atmosphere;	89%

: 87-90-1
trichloroisocyanuric acid

: 1675-58-7
diphenylgermane

: 7366-23-6
diphenylchlorogermane

Conditions

Conditions	Yield
In tetrahydrofuran at -80 - 20℃; Inert atmosphere; Schlenk technique;	89%

: 214420-92-5
2-(4-nitro-phenyl)-4,4-dimethyl-5-methylene-4,5-dihydrooxazole

: 87-90-1
trichloroisocyanuric acid

: N-(1-chloro-3-methyl-2-oxobut-3-yl)-4-nitrobenzamide

Conditions

Conditions	Yield
With hydrogenchloride In hexane; water; ethyl acetate	88%
With hydrogenchloride In hexane; water; ethyl acetate	88%

: 87-90-1
trichloroisocyanuric acid

: (1-naphthyl)2GeH2

: 1-naphthylGe(Cl)H2

Conditions

Conditions	Yield
In tetrahydrofuran at -80 - 20℃; Inert atmosphere; Schlenk technique;	88%

: 209809-70-1
2-(3,5-dichloro-4-methylphenyl)-4-ethyl-4-methyl-5-methyleneoxazoline

: 87-90-1
trichloroisocyanuric acid

: 156052-68-5
zoxamide

Conditions

Conditions	Yield
With hydrogenchloride In water; ethyl acetate	87%

: 87-90-1
trichloroisocyanuric acid

: 6-(pyridin-3-yl)-4-(tetrahydro-2H-pyran-4-ylamino)quinoline-3-carboxamide

: 8-(pyridin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In methanol at 0 - 20℃; for 0.5h; Inert atmosphere;	87%

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 87-90-1
trichloroisocyanuric acid

A: 108-80-5
cyanuric acid

B 6-chloro-3,7-dimethyl-2,7-octadiene-1-acetate: 6-chloro-3,7-dimethyl-2,7-octadiene-1-acetate

Conditions

Conditions	Yield
In hexane	A n/a B 86%
In hexane	A n/a B 86%

...Expand

: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

: 87-90-1
trichloroisocyanuric acid

A: 108-80-5
cyanuric acid

B 6-chloro-3,7-dimethyl-2,7-octadien-1-acetate: 6-chloro-3,7-dimethyl-2,7-octadien-1-acetate

Conditions

Conditions	Yield
In hexane	A n/a B 86%

...Expand

: 87-90-1
trichloroisocyanuric acid

: tert-butyl (2R,4R)-2-(5-fluoropyridin-3-yl)-4-hydroxypyrrolidine-1-carboxylate

: tert-butyl (R)-2-(5-fluoropyridin-3-yl)-4-oxopyrrolidine-1-carboxylate

Conditions

Conditions	Yield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical at -10 - 25℃; for 1.25h;	85.32%

: 87-90-1
trichloroisocyanuric acid

: 7-fluoro-4-((trans-3-methoxycyclobutyl)amino)-6-(6-(methoxymethyl)pyridin-3-yl)quinoline-3-carboxamide

: 7-fluoro-1-(trans-3-methoxycyclobutyl)-8-(6-(methoxymethyl)pyridin-3-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In methanol at 0 - 20℃; Inert atmosphere;	85%

: 87-90-1
trichloroisocyanuric acid

: 29823-30-1
dibutylgermane

: 14275-42-4
di-n-butylchlorogermane

Conditions

Conditions	Yield
In tetrahydrofuran at -80 - 20℃; Inert atmosphere; Schlenk technique;	85%

: 696-63-9
4-Methoxybenzenethiol

: 87-90-1
trichloroisocyanuric acid

A: 5335-87-5
4,4'-dimethoxyphenyl disulfide

B: 108-80-5
isocyanuric acid

Conditions

Conditions	Yield
With pyridine; water; benzoic acid In dichloromethane; acetonitrile at 40℃;	A 83% B n/a

...Expand

: 87-90-1
trichloroisocyanuric acid

: 55-21-0
benzamide

: 109371-20-2
4-chloro-2,3,5-trimethylpyridine 1-oxide

: 4-chloro-2-chloromethyl-3,5-dimethylpyridine N-oxide

Conditions

Conditions	Yield
In dichloromethane; chloroform; water	83%

...Expand

: 87-90-1
trichloroisocyanuric acid

: 122-52-1
triethyl phosphite

: hexahydro-1,3,5-tris(diethoxyphosphoryl)-1,3,5-triazine-2,4,6-trione

Conditions

Conditions	Yield
at 100 - 110℃; for 12h;	82%
at 90℃;	78%
In benzene	72%

: 87-90-1
trichloroisocyanuric acid

: 42927-35-5
((2S,3R)-2,2-dimethyl-5-((4'R,5'S)-2',2',5'-trimethyl-1',3'-dioxolan-4'-yl)-1,3-dioxolan-4-yl)methanol

: 212065-83-3
(2S,3R)-2,2-dimethyl-5-((4'R,5'S)-2',2',5'-trimethyl-1',3'-dioxolan-4'-yl)-1,3-dioxolane-4-carbaldehyde

Conditions

Conditions	Yield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In dichloromethane at 0 - 20℃;	82%

Trichloroisocyanuric Acid Specification

The Trichloroisocyanuric Acid, with the CAS registry number 87-90-1,is also known as 1,3,5-Trichloro-1-triazine-2,4,6(1H,3H,5H)-trione; 1,3,5-Trichloroisocyanuric acid; Symclosene. It belongs to the product categories of Chlorination;Halogenation;Synthetic Organic Chemistry;Biocide.Its EINECS number is 201-782-8. This chemical's molecular formula is C₃Cl₃N₃O₃ and molecular weight is 232.41. What's more,Its systematic name is Trichloroisocyanuric Acid.It is a white to light yellow crystal powde which is stable,hygroscopic, and incompatible with acids,reducing agents,water,strong oxidizing agents.And it may lead to fire when Contact with combustible material. Trichloroisocyanuric Acid is used for disinfection of drinking water, swimming pool water, industrial circulating water, sewage and any other water.It is usually used as an industrial disinfectant, bleaching agent and an organic synthesis reagent.

Physical properties about Trichloroisocyanuric Acid are:
(1)ACD/LogP: -0.231; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 17.83; (8)ACD/KOC (pH 7.4): 17.83; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.686; (13)Molar Refractivity: 40.382 cm3; (14)Molar Volume: 106.078 cm3; (15)Surface Tension: 95.6620025634766 dyne/cm; (16)Density: 2.191 g/cm3; (17)Flash Point: 118.464 °C; (18)Enthalpy of Vaporization: 51.055 kJ/mol; (19)Boiling Point: 272.269 °C at 760 mmHg; (20)Vapour Pressure: 0.00600000005215406 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O;
(2)Std. InChI:InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11;
(3)Std. InChIKey:YRIZYWQGELRKNT-UHFFFAOYSA-N.

The toxicity data of Trichloroisocyanuric Acid are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
human	LDLo	oral	3570mg/kg (3570mg/kg)	GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH	"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 167, 1969.
mammal (species unspecified)	LD50	oral	750mg/kg (750mg/kg)		Yakkyoku. Pharmacy. Vol. 31, Pg. 959, 1980.
rabbit	LDLo	oral	1900mg/kg (1900mg/kg)	BEHAVIORAL: COMA	Monsanto Co. Toxicity Information. Vol. -, Pg. -, 1972.
rabbit	LDLo	skin	5010mg/kg (5010mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FOOD INTAKE (ANIMAL) LIVER: OTHER CHANGES	National Technical Information Service. Vol. OTS0570617,
rat	LC	inhalation	> 2gm/m3/1H (2000mg/m3)		Monsanto Co. Toxicity Information. Vol. -, Pg. -, 1972.
rat	LD50	oral	406mg/kg (406mg/kg)		Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.

Product Name

Trichloroisocyanuric acid

Synthetic route

Trichloroisocyanuric Acid Specification

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