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Molecule
Calcium Hypophosphite
CAS: 7789-79-9 · H3CaO2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7789-79-9
- Molecular Formula
- H3CaO2P
- Molecular Mass
- 106.07 g/mol
Identifiers
CAS Registry Number
7789-79-9
SMILES
O=[PH2]O.[Ca]
InChI Key
UYLZTMKRBODTEM-UHFFFAOYSA-N
InChI
InChI=1S/Ca.H3O2P/c;1-3-2/h;3H2,(H,1,2)
Names and Synonyms
- Calcium Hypophosphite Common Name
- Phosphinic acid, calcium salt (2:1) Synonym
- Phosphinic acid, calcium salt Synonym
- Calcium hypophosphite (Ca(H2PO2)2) Synonym
- Calcium dihydrogen hypophosphite Synonym
- Calcium phosphinate (Ca(H2PO2)2) Synonym
- Calcium hypophosphite Synonym
- Phoslite IP-C Synonym
- IP-C Synonym
- Phoslite B 85CX Synonym
- Calcium phosphinate Synonym
- CaHP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 106.07 g/mol | CAS Common Chemistry |
| 106.074 g/mol | RDKit | |
| 108.09 g/mol | chempirical lib | |
| Canonical SMILES | [Ca].O=[PH2]O | CAS Common Chemistry |
| InChI | InChI=1S/Ca.H3O2P/c;1-3-2/h;3H2,(H,1,2) | CAS Common Chemistry |
| InChI Key | InChIKey=UYLZTMKRBODTEM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 200 °C (decomp) | CAS Common Chemistry |
| Name | Calcium hypophosphite | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | -0.7308000000000001 | RDKit |
| -0.7308 | RDKit | |
| Molar Refractivity | 18.3693 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 105.949656946 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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
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MW = 106.07 g/mol. Edit any field — others recompute live.
