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Sodium Dichloroisocyanurate

CAS: 2893-78-9 | C3HCl2N3NaO3

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 2893-78-9
Molecular Formula: C3HCl2N3NaO3
Molecular Weight: 220.955 g/mol

Names and Synonyms:

Sodium Dichloroisocyanurate
Sodium dicycloroisocyanurate
Histar G
Haz-Tabs
Haz-Tab
Actisept
Medicarine
Aviclor
Khlorapin
Javel Solid
Neochlor 55G
DICD-G
Sumaveg
Hidrosan
Jundujing
Neochlor 60M
Neochlor 60MG
Neochlor 55
Neochlor 60G
Vac Attack
Dichloro-s-triazinetrione sodium salt
Presept
Fichlor
Dichlosia
SDIC-MG
Oxidan DCN/WSG
Prisept
SDIC 60P
Hi-Lite G 60GW
Crente
Basolan DC
Clearon CDB 56
Actisan
Clearon CDB
ACL 56
Hi-Lite 60C
Surchlor GR 60
Izosan G
Hi-Lite 60G
Oniachlor 60
Neochlor 60P
CDB Clearon
Fi Clor Clearon
Clearon
Fi Clor 60S
Dikonit
Simpla
CDB 63
3,5-Dichloro-2-hydroxy-4,6-s-triazinedione sodium salt
Sodium dichlorisocyanurate
Dichloroisocyanuric acid sodium salt
Sodium dichloroisocyanurate
Sodium dichlorocyanurate
ACL 60
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt
s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt (1:1)

Identifiers:

SMILES:
O=c1nc(O)n(Cl)c(=O)n1Cl.[Na]
InChI:
InChI=1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 220.96 g/mol Legacy Database
density 1.00 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Sodium_dichloroisocyanurate None Legacy Database
cas-canonical-smile [Na].O=C1NC(=O)N(Cl)C(=O)N1Cl None Legacy Database
cas-density 1 g/cm3 None Legacy Database
cas-inchi InChI=1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10); None Legacy Database
cas-inchi-key InChIKey=UNWRHVZXVVTASG-UHFFFAOYSA-N None Legacy Database
cas-name Sodium dichloroisocyanurate None Legacy Database
wikipedia-name Sodium dichloroisocyanurate None Legacy Database
LogP -1.2664000000000002 RDKit

Molecular

Property Value Source
Molecular Weight 220.955 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 219.929265532 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 12 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 6 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 77.12 Ų RDKit

Molar

Property Value Source
Molar Refractivity 42.6778 RDKit

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