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Molecule
Sodium Dichloroisocyanurate
CAS: 2893-78-9 · C3HCl2N3NaO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2893-78-9
- Molecular Formula
- C3HCl2N3NaO3
- Molecular Mass
- 220.96 g/mol
Identifiers
CAS Registry Number
2893-78-9
SMILES
O=c1nc(O)n(Cl)c(=O)n1Cl.[Na]
InChI Key
UNWRHVZXVVTASG-UHFFFAOYSA-N
InChI
InChI=1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);
Names and Synonyms
- Sodium Dichloroisocyanurate Common Name
- CDB 63 Synonym
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt (1:1) Synonym
- s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt Synonym
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt Synonym
- ACL 60 Synonym
- Sodium dichlorocyanurate Synonym
- Sodium dichloroisocyanurate Synonym
- Dichloroisocyanuric acid sodium salt Synonym
- Sodium dichlorisocyanurate Synonym
- 3,5-Dichloro-2-hydroxy-4,6-s-triazinedione sodium salt Synonym
- Simpla Synonym
- Dikonit Synonym
- Fi Clor 60S Synonym
- Clearon Synonym
- Fi Clor Clearon Synonym
- CDB Clearon Synonym
- Neochlor 60P Synonym
- Oniachlor 60 Synonym
- Hi-Lite 60G Synonym
- Izosan G Synonym
- Surchlor GR 60 Synonym
- Hi-Lite 60C Synonym
- ACL 56 Synonym
- Clearon CDB Synonym
- Actisan Synonym
- Clearon CDB 56 Synonym
- Basolan DC Synonym
- Crente Synonym
- Hi-Lite G 60GW Synonym
- SDIC 60P Synonym
- Prisept Synonym
- Oxidan DCN/WSG Synonym
- SDIC-MG Synonym
- Dichlosia Synonym
- Fichlor Synonym
- Presept Synonym
- Dichloro-s-triazinetrione sodium salt Synonym
- Vac Attack Synonym
- Neochlor 60G Synonym
- Neochlor 55 Synonym
- Neochlor 60MG Synonym
- Neochlor 60M Synonym
- Jundujing Synonym
- Hidrosan Synonym
- Sumaveg Synonym
- DICD-G Synonym
- Neochlor 55G Synonym
- Javel Solid Synonym
- Khlorapin Synonym
- Aviclor Synonym
- Medicarine Synonym
- Actisept Synonym
- Haz-Tab Synonym
- Haz-Tabs Synonym
- Histar G Synonym
- Sodium dicycloroisocyanurate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 220.96 g/mol | CAS Common Chemistry |
| 220.955 g/mol | RDKit | |
| 221.957 g/mol | chempirical lib | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 1 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_dichloroisocyanurate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=C1NC(=O)N(Cl)C(=O)N1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=UNWRHVZXVVTASG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium dichloroisocyanurate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| 4 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 77.12 Ų | RDKit |
| LogP | -1.2664000000000002 | RDKit |
| -1.2664 | RDKit | |
| Molar Refractivity | 42.6778 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 219.929265532 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 220.96 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
