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Trichloroisocyanuric Acid

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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 Molecular Structure of 87-90-1 (Trichloroisocyanuric acid) Hazard Symbols OxidizingO, HarmfulXn, DangerousN
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);

 

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.

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