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Molecule
Calcium Hypochlorite
CAS: 7778-54-3 · HCaClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7778-54-3
- Molecular Formula
- HCaClO
- Molecular Mass
- 92.54 g/mol
Identifiers
CAS Registry Number
7778-54-3
SMILES
OCl.[Ca]
InChI Key
QFYUAKPQIZIUPT-UHFFFAOYSA-N
InChI
InChI=1S/Ca.ClHO/c;1-2/h;2H
Names and Synonyms
- Calcium Hypochlorite Common Name
- Hypochlorous acid, calcium salt (2:1) Synonym
- Hypochlorous acid, calcium salt Synonym
- Calcium hypochlorite Synonym
- Calcium oxychloride Synonym
- Lime chloride Synonym
- B-K Powder Synonym
- Chloride of lime Synonym
- Chlorinated lime Synonym
- Caporit Synonym
- Losantin Synonym
- HTH VAN Synonym
- Chemichlon G Synonym
- HTH (bleaching agent) Synonym
- Solvox KS Synonym
- Eusol BPC Synonym
- T-Eusol Synonym
- Chloro lime chemical Synonym
- Bleaching powder Synonym
- Ca(ClO)2 Synonym
- Nisso Hi-chlon LC Synonym
- Nisso Hi-Chlon Synonym
- Perfect PA Synonym
- Super Zappit Synonym
- Zappit Synonym
- calcium di(oxychloride) Synonym
- Toyokuron PT-P Synonym
- Toyoclon PT-P Synonym
- Toyokuron-PTGIII Synonym
- Toyokuron Synonym
- Toyoclon PTGIII Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 92.54 g/mol | CAS Common Chemistry |
| 92.53800000000001 g/mol | RDKit | |
| 92.538 g/mol | RDKit | |
| 94.551 g/mol | chempirical lib | |
| Density | 2.35 g/cm³ | CAS Common Chemistry |
| 2.35 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_hypochlorite | CAS Common Chemistry |
| Canonical SMILES | [Ca].ClO | CAS Common Chemistry |
| InChI | InChI=1S/Ca.ClHO/c;1-2/h;2H | CAS Common Chemistry |
| InChI Key | InChIKey=QFYUAKPQIZIUPT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 100 °C | CAS Common Chemistry |
| Name | Calcium hypochlorite | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | -0.24830000000000002 | RDKit |
| -0.2483 | RDKit | |
| Molar Refractivity | 13.8258 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 91.934183312 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
100
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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
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Quick conversion
MW = 92.54 g/mol; density = 2.350 g/mL. Edit any field — others recompute live.
