Sodium Dichloroisocyanurate Dihydrate

Synopsis, Chemistry

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Also known as: Sodium dichloroisocyanurate dihydrate, 51580-86-0, Dichloroisocyanuric acid sodium salt dihydrate, Troclosene sodium dihydrate, Troclosene sodium, Sodium;1,5-dichloro-4,6-dioxo-1,3,5-triazin-2-olate;dihydrate

Molecular Formula

C₃H₄Cl₂N₃NaO₅

Molecular Weight

255.97 g/mol

InChI Key

PYILKOIEIHHYGD-UHFFFAOYSA-M

1 2D Structure

Sodium Dichloroisocyanurate Dihydrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;1,5-dichloro-4,6-dioxo-1,3,5-triazin-2-olate;dihydrate

2.1.2 InChI

InChI=1S/C3HCl2N3O3.Na.2H2O/c4-7-1(9)6-2(10)8(5)3(7)11;;;/h(H,6,9,10);;2*1H2/q;+1;;/p-1

2.1.3 InChI Key

PYILKOIEIHHYGD-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C1(=NC(=O)N(C(=O)N1Cl)Cl)[O-].O.O.[Na+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Sodium Dichloroisocyanurate Dihydrate

2. 51580-86-0

3. Dichloroisocyanuric Acid Sodium Salt Dihydrate

4. Troclosene Sodium Dihydrate

5. Troclosene Sodium

6. Sodium;1,5-dichloro-4,6-dioxo-1,3,5-triazin-2-olate;dihydrate

7. Dsstox_cid_9761

8. Dsstox_rid_78820

9. Dsstox_gsid_29761

10. 8027syq9x3

11. Cas-51580-86-0

12. Ec 220-767-7

13. Unii-8027syq9x3

14. 1,3,5-triazine-2,4,6-(1h,3h,5h)-trione,1,3-dichloro-,sodiumsalt,dihydrate

15. Mfcd00149404

16. 1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3-dichloro-, Sodium Salt,dihydrate

17. 1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3-dichloro-, Sodium Salt, Dihydrate

18. Chembl3183152

19. Tox21_201922

20. Tox21_303426

21. Sodium Dichloroisocyanurate, Dihydrate

22. Ncgc00257415-01

23. Ncgc00259471-01

24. As-83573

25. Sodium Dichlorodi-isocyanurate, Dihydrate

26. Dichloroisocyanuric Acid Sodium Salt Dihydrate, Nadcc

27. Q27269102

28. Sodium Dichloroisocyanurate Dihydrate, >=98.0% (at)

29. Sodium 1,5-dichloro-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-olate Dihydrate

2.3 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₃H₄Cl₂N₃NaO₅
Molecular Weight	255.97 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	254.9425699 g/mol
Monoisotopic Mass	254.9425699 g/mol
Topological Polar Surface Area	78 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	257
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	4