copper(2+) ion bis(nitrooxidane)

• ChemBase ID: 126702
• Molecular Formular: CuN2O6
• Molecular Mass: 187.5558
• Monoisotopic Mass: 186.90523323
• SMILES: [Cu+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[Cu+2]
• InChI: InChI=1S/Cu.2NO3/c;2*2-1(3)4/q+2;2*-1
• InChIKey: XTVVROIMIGLXTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion bis(nitrooxidane); copper(2+) ion dinitrate
• IUPAC Traditional name: copper(2+) ion dinitronate; copper(2+) ion dinitrate
• Synonyms: Cupric nitrate; Copper(II) nitrate; Copper(II) nitrate on silica gel; Copper(II) nitrate on Celite®; Cupric nitrate hemi(pentahydrate); Copper(II) nitrate hemi(pentahydrate); Copper(II) nitrate hemi(pentahydrate), ACS; 硅胶负载硝酸铜(II); Celite® 负载硝酸铜(II); 合硝酸铜(II)2.5个结晶水; 2.5水合硝酸铜(II), ACS

Database IDs

• CAS Number: 3251-23-8; 19004-19-4
• EC Number: 221-838-5
• MDL Number: MFCD00010967; MFCD00149671
• Merck Index: 142643
• PubChem SID: 24858423; 162221030
• PubChem CID: 18616
• Chemspider ID: 17582
• Unique Ingredient Identifier: 9TC879S2ZV
• Wikipedia Title: Copper(II)_nitrate

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8368004
• LogD (pH = 7.4): 0.8368004
• Log P: 0.8368004
• Molar Refractivity: 8.3471 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 66.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: trihydrate: ; 137.8 g/100 mL (0 °C) ; 1270 g/100 mL (100 °C) in water; hydrates very soluble in ethanol, ammonia, water; insoluble in ethyl acetate; Soluble in water and alcohol
• Apperance: blue crystals ; hygroscopic; Crystalline Lumps; powder and chunks
• Melting Point: 256 °C (anhydrous, decomp) ; 114.5 °C (trihydrate) ; 26.4 °C (hexahydrate, decomposes); ca 115°C
• Boiling Point: 170 °C (trihydrate, decomposes); 170°C dec.
• Density: 2.32; 3.05 g/cm^3 (anhydrous) ; 2.32 g/cm^3 (trihydrate) ; 2.07 g/cm^3 (hexahydrate)

Safety Information

• Storage Warning: Hygroscopic
• RTECS: GL7875000
• European Hazard Symbols: Corrosive (C); Oxidising (O); X
• UN Number: 1477; 3085; UN3085
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 3; III
• Risk Statements: 45-8-22-34; 8-20/21/22-34; 8-22-34
• Safety Statements: 17-26-36/37/39-45; 17-26-36/37/39-45-60; 53-17-26-36/37/39-45
• TSCA Listed: 是
• EU Index: Not listed
• GHS Pictograms: GHS03; GHS05; GHS07
• Main Hazard: Irritant, Oxidizer
• NFPA704:
  

  0

  1

  1

  OX
• GHS Hazard statements: H272-H314-H318-H302
• GHS Precautionary statements: P221-P210-P303+P361+P353-P305+P351+P338-P405-P501A
• RID/ADR: UN 1477 5.1/PG 3; UN 3085 5.1/PG 3

Product Information

• Purity: 98%; 98.0-102.0%
• Extent of Labeling: 26 wt. % loading; 30 wt. % loading
• Linear Formula: Cu(NO3)2

DETAILS

Sigma Aldrich - 305340

Packaging
25 g in glass bottle
Legal Information
Celite is a registered trademark of Imerys Minerals California, Inc.

REFERENCES

• Has been used on clay support for aromatic nitrations, oxidative cleavage of thioacetals, and aromatization of dihydropyridines. For reviews, see: Synthesis, 909 (1985); Acc. Chem. Res., 19, 121 (1986).
• For use in the coupling of vinyl stannanes, see: Tetrahedron Lett., 36, 197 (1995).
• Reacts with H₂O₂ in the presence of KHCO₃ to give CuO₂H, stable at room temperature in the absence of moisture, a selective oxidant for the conversion of alcohols to aldehydes in high yield: Tetrahedron Lett., 31, 3891 (1990).