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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.
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 |
