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Calcium Arsenate
CAS: 7778-44-1 | H3AsCaO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7778-44-1
Molecular Formula:
H3AsCaO4
Molecular Mass:
182.02 g/mol
Names and Synonyms:
Calcium Arsenate
Arsenic acid (H3AsO4), calcium salt (2:3)
Calcium arsenate (Ca3(AsO4)2)
Chip-Cal Granular
Cucumber dust
Pencal
Spra-cal
Tricalcium arsenate
Calcium arsenate
Identifiers:
SMILES:
O=[As](O)(O)O.[Ca]
InChI:
InChI=1S/AsH3O4.Ca/c2-1(3,4)5;/h(H3,2,3,4,5);
Key Properties
Melting Point
1455 °C
CAS Common Chemistry
Density
3.62 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 | 182.02 g/mol | CAS Common Chemistry |
| 182.01999999999998 g/mol | RDKit | |
| 181.887321056 g/mol | RDKit | |
| Density | 3.62 g/cm³ | CAS Common Chemistry |
| 3.620 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_arsenate | CAS Common Chemistry |
| Canonical SMILES | [Ca].O=[As](O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/AsH3O4.Ca/c2-1(3,4)5;/h(H3,2,3,4,5); | CAS Common Chemistry |
| InChI Key | InChIKey=GYYLHZUIHDISBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1455 °C | CAS Common Chemistry |
| Name | Calcium arsenate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.76 Ų | RDKit |
| LogP | -2.5514 | RDKit |
| Molar Refractivity | 18.8509 | RDKit |
