calcium hydrate dinitrate

• ChemBase ID: 149030
• Molecular Formular: CaH2N2O7
• Molecular Mass: 182.10308
• Monoisotopic Mass: 181.94879139
• SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Ca+2]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].O.[Ca+2]
• InChI: InChI=1S/Ca.2NO3.H2O/c;2*2-1(3)4;/h;;;1H2/q+2;2*-1
• InChIKey: JJIQGEZLLWXYKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium hydrate dinitrate
• IUPAC Traditional name: calcium hydrate dinitrate
• Synonyms: Nitric acid calcium salt hydrate; Calcium nitrate hydrate; 硝酸钙 水合物

Database IDs

• CAS Number: 35054-52-5
• EC Number: 233-332-1
• MDL Number: MFCD00149603
• PubChem SID: 162243199; 24852134
• PubChem CID: 16211464

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3479722
• LogD (pH = 7.4): -2.3479848
• Log P: 0.028413763
• Molar Refractivity: 9.8534 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 68.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystals and lumps
• Melting Point: 45 °C(lit.)

Safety Information

• European Hazard Symbols: Oxidising (O)
• UN Number: 1454
• German water hazard class: 1
• Hazard Class: 5.1
• Packing Group: 3
• Risk Statements: 8
• GHS Pictograms: GHS03
• GHS Signal Word: Warning
• GHS Hazard statements: H272
• GHS Precautionary statements: P220
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1454 5.1/PG 3

Product Information

• Purity: 99.997% trace metals basis
• Linear Formula: Ca(NO3)2·xH2O

DETAILS

Sigma Aldrich - 202967

Packaging
10, 50 g in poly bottle