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Molecule
Sodium Arsenate Heptahydrate
CAS: 10048-95-0 · H17AsNa2O11
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10048-95-0
- Molecular Formula
- H17AsNa2O11
- Molecular Mass
- 314.03 g/mol
Identifiers
CAS Registry Number
10048-95-0
SMILES
O.O.O.O.O.O.O.O=[As](O)(O)O.[Na].[Na]
InChI Key
BWFXQZJOFBNSCO-UHFFFAOYSA-N
InChI
InChI=1S/AsH3O4.2Na.7H2O/c2-1(3,4)5;;;;;;;;;/h(H3,2,3,4,5);;;7*1H2
Names and Synonyms
- Sodium Arsenate Heptahydrate Common Name
- Arsenic acid (H3AsO4), sodium salt (1:2), heptahydrate Synonym
- Arsenic acid (H3AsO4), disodium salt, heptahydrate Synonym
- Sodium acid arsenate, heptahydrate Synonym
- Disodium arsenate heptahydrate Synonym
- Dibasic sodium arsenate (Na2HAsO4.7H2O) Synonym
- Sodium arsenate hydrate (Na2HAsO4.7H2O) Synonym
- Sodium arsenate (Na2HAsO4) heptahydrate Synonym
- Disodium hydrogen arsenate (Na2HAsO4) heptahydrate Synonym
- Hydrogen disodium arsenate (HNa2AsO4) heptahydrate Synonym
- Sodium arsenate heptahydrate Synonym
- Disodium acid arsenate heptahydrate (Na2HAsO4.7H2O) Synonym
- Disodium monohydrogen arsenate heptahydrate Synonym
- Sodium hydrogen arsenate (Na2HAsO4) heptahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 314.03 g/mol | CAS Common Chemistry |
| 314.02700000000004 g/mol | RDKit | |
| 314.027 g/mol | RDKit | |
| 316.043 g/mol | chempirical lib | |
| Density | 1.90 g/cm³ | CAS Common Chemistry |
| 1.9 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Na].O=[As](O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/AsH3O4.2Na.7H2O/c2-1(3,4)5;;;;;;;;;/h(H3,2,3,4,5);;;7*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BWFXQZJOFBNSCO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 130 °C | CAS Common Chemistry |
| Name | Sodium arsenate heptahydrate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 298.26000000000005 Ų | RDKit |
| 298.26 Ų | RDKit | |
| LogP | -8.705099999999993 | RDKit |
| -8.7051 | RDKit | |
| Molar Refractivity | 49.90150000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 313.9782214240001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
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.
External Resources
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MW = 314.03 g/mol; density = 1.900 g/mL. Edit any field — others recompute live.
