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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 Mass:
71.05 g/mol
Names and Synonyms:
Calcium Phosphide
Calcium phosphide (Ca3P2)
Calcium Photophor
Photophor
Calcium phosphide
Tricalcium diphosphide
Identifiers:
SMILES:
[Ca].[P]
InChI:
InChI=1S/Ca.P
Key Properties
Melting Point
1600 °C (approx)
CAS Common Chemistry
Density
2.51 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 71.05 g/mol | CAS Common Chemistry |
| 71.052 g/mol | RDKit | |
| 70.93635261 g/mol | RDKit | |
| Density | 2.51 g/cm³ | CAS Common Chemistry |
| 2.51 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_phosphide | CAS Common Chemistry |
| Canonical SMILES | [P].[Ca] | CAS Common Chemistry |
| InChI | InChI=1S/Ca.P | CAS Common Chemistry |
| InChI Key | InChIKey=ZQBZAOZWBKABNC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1600 °C (approx) | CAS Common Chemistry |
| Name | Calcium phosphide | CAS Common Chemistry |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.48039999999999994 | RDKit |
| Molar Refractivity | 12.674 | RDKit |
