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1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-dichloro-, sodium salt, hydrate (1:1:2) (51580-86-0)

Identification
Name:1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-dichloro-, sodium salt, hydrate (1:1:2)
Synonyms:1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-dichloro-, sodium salt, dihydrate (9CI);Sodium dichloroisocyanuratedihydrate;
CAS:51580-86-0
EINECS: 220-767-7
Annex I Index No: 613-030-00-X
Molecular Formula: C3Cl2N3NaO3.2(H2O)
Molecular Weight: 197.96434
InChI: InChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)
Molecular Structure: (C3Cl2N3NaO3.2(H2O)) 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-dichloro-, sodium salt, dihydrate (9CI);Sodium dichloroiso...
Properties
Transport:UN 3077
Stability:Stable. Oxidizer. Incompatible with organic material, finely powdered metals. Toxic gases may be released on contact with acids.
Solubility:Readily soluble in polar organic solvents (ketones, nitriles, esters)
Moderately soluble in water
Aqueous solubility = 0.7% at 20 deg C
Appearance:white granule
Specification:

The IUPAC name of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, dihydrate is sodium 1,5-dichloro-4,6-dioxo-1,3,5-triazin-2-olate dihydrate. With the CAS registry number 51580-86-0, it is also named as Sodium dichloroisocyanurate dihydrate. The product's categorie is heterocycles. It is white granule which is stable and incompatible with organic material, finely powdered metals. When contact with acids, it may release toxic gases. And contact with combustible material may cause fire. Additionally, this chemical should be stored in the dry place.

The other characteristics of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, dihydrate can be summarized as: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 5; (3)Rotatable Bond Count: 0; (4)Exact Mass: 254.94257; (5)MonoIsotopic Mass: 254.94257; (6)Topological Polar Surface Area: 78; (7)Heavy Atom Count: 14; (8)Formal Charge: 0; (9)Complexity: 257; (10)Covalently-Bonded Unit Count: 4.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. And it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing. To clean the floor and all objects contaminated by this material, use .... (there follows suitable cleaning material). In addition, this material and its container must be disposed of as hazardous waste. Avoid release to the environment. 

People can use the following data to convert to the molecule structure.
1. SMILES:[Na+].O.O.ClN1C([O-])NC(=O)N(Cl)C1=O
2. InChI:InChI=1/C3H2Cl2N3O3.Na.2H2O/c4-7-1(9)6-2(10)8(5)3(7)11;;;/h1H,(H,6,10);;2*1H2/q-1;+1;;

Report:

The IUPAC name of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, dihydrate is sodium 1,5-dichloro-4,6-dioxo-1,3,5-triazin-2-olate dihydrate. With the CAS registry number 51580-86-0, it is also named as Sodium dichloroisocyanurate dihydrate. The product's categorie is heterocycles. It is white granule which is stable and incompatible with organic material, finely powdered metals. When contact with acids, it may release toxic gases. And contact with combustible material may cause fire. Additionally, this chemical should be stored in the dry place.

The other characteristics of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, dihydrate can be summarized as: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 5; (3)Rotatable Bond Count: 0; (4)Exact Mass: 254.94257; (5)MonoIsotopic Mass: 254.94257; (6)Topological Polar Surface Area: 78; (7)Heavy Atom Count: 14; (8)Formal Charge: 0; (9)Complexity: 257; (10)Covalently-Bonded Unit Count: 4.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. And it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing. To clean the floor and all objects contaminated by this material, use .... (there follows suitable cleaning material). In addition, this material and its container must be disposed of as hazardous waste. Avoid release to the environment. 

People can use the following data to convert to the molecule structure.
1. SMILES:[Na+].O.O.ClN1C([O-])NC(=O)N(Cl)C1=O
2. InChI:InChI=1/C3H2Cl2N3O3.Na.2H2O/c4-7-1(9)6-2(10)8(5)3(7)11;;;/h1H,(H,6,10);;2*1H2/q-1;+1;;

Color: White, crystalline powder, granules
White crystals
Safety Data
 

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