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Calcium Phosphide
CAS: 1305-99-3 | CaP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1305-99-3
Molecular Formula:
CaP
Molecular Weight:
71.052 g/mol
Names and Synonyms:
Calcium Phosphide
Common Name
Tricalcium diphosphide
Synonym
Calcium phosphide
Synonym
Photophor
Synonym
Calcium Photophor
Synonym
Calcium phosphide (Ca3P2)
Synonym
Identifiers:
SMILES:
[Ca].[P]
InChI:
InChI=1S/Ca.P
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-density | 2.51 g/cm3 None | Legacy Database |
| cas-canonical-smile | [P].[Ca] None | Legacy Database |
| cas-inchi | InChI=1S/Ca.P None | Legacy Database |
| molecular_mass | 71.05 g/mol | Legacy Database |
| density | 2.51 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Calcium_phosphide None | Legacy Database |
| cas-inchi-key | InChIKey=ZQBZAOZWBKABNC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 1600 °C (approx) None | Legacy Database |
| cas-name | Calcium phosphide None | Legacy Database |
| wikipedia-name | Calcium phosphide None | Legacy Database |
| LogP | 0.48039999999999994 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 71.052 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 70.93635261 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.674 | RDKit |