copper(2+) ion hydrate dinitrate

• ChemBase ID: 145908
• Molecular Formular: CuH2N2O7
• Molecular Mass: 205.57108
• Monoisotopic Mass: 204.91579791
• SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Cu+2]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].O.[Cu+2]
• InChI: InChI=1S/Cu.2NO3.H2O/c;2*2-1(3)4;/h;;;1H2/q+2;2*-1
• InChIKey: VMKYLARTXWTBPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion hydrate dinitrate
• IUPAC Traditional name: copper(2+) ion hydrate dinitrate
• Synonyms: Cupric nitrate hydrate; Copper(II) nitrate hydrate; 硝酸铜 水合物; 硝酸铜(II) 水合物

Database IDs

• CAS Number: 13778-31-9
• EC Number: 221-838-5
• MDL Number: MFCD00149669
• PubChem SID: 162240108; 24853292
• PubChem CID: 15303652

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: 114.5 °C (dec.)(lit.)

Safety Information

• RTECS: QU7400000
• European Hazard Symbols: Corrosive (C); Oxidising (O)
• UN Number: 3085
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 8-22-34
• Safety Statements: 17-26-36/37/39-45
• GHS Pictograms: GHS03; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H302-H315-H318
• GHS Precautionary statements: P220-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, 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 3085 5.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 99.999% trace metals basis
• Linear Formula: Cu(NO3)2 · xH2O

DETAILS

Sigma Aldrich - 229636

Packaging
5, 25, 100 g in poly bottle
Application
Catalyzes oxidative coupling of 2,6-dimethylphenol to produce a polymer which is an important engineering material.1