nickel(2+) ion hexahydrate dinitrate

• ChemBase ID: 110777
• Molecular Formular: H12N2NiO12
• Molecular Mass: 290.79488
• Monoisotopic Mass: 289.97436673
• SMILES: O.O.O.O.O.O.[Ni+2].[O-][N+](=O)[O-].[O-][N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].O.O.O.O.O.O.[Ni+2]
• InChI: InChI=1S/2NO3.Ni.6H2O/c2*2-1(3)4;;;;;;;/h;;;6*1H2/q2*-1;+2
• InChIKey: AOPCKOPZYFFEDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion hexahydrate dinitrate; nickel(2+) ion bis(nitrooxidane) hexahydrate
• IUPAC Traditional name: nickel(2+) ion hexahydrate dinitrate; nickel(2+) hexahydrate dinitronate
• Synonyms: Nickel(II) nitrate hexahydrate, Puratronic®; Nickel(II) nitrate hexahydrate; NICKEL NITRATE (OUS); Nickel(II) nitrate hexahydrate, tech.; 硝酸镍(II)六水合物, Puratronic®; 硝酸镍(II) 六水合物; 硝酸镍(II)六水合物, tech.

Database IDs

• CAS Number: 13478-00-7
• EC Number: 231-111-4; 236-068-5
• MDL Number: MFCD00149805
• Merck Index: 146513
• PubChem SID: 162095986; 24886377; 24886376; 24852072; 24854650
• PubChem CID: 61630

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: Soluble in water, alcohol
• Apperance: crystalline; Crystalline Aggregates; Flake; solid
• Melting Point: 56 °C(lit.); 56°C; 56.7°C
• Boiling Point: 137°C
• Density: 2.05; 2.05 g/ml; 2.05 g/mL at 25 °C(lit.)

Safety Information

• Storage Warning: Hygroscopic
• RTECS: QR7300000
• European Hazard Symbols: Nature polluting (N); Oxidising (O); Toxic (T)
• UN Number: 2725; UN2725
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 3; III
• Risk Statements: 49-61-8-20/22-38-41-42/43-48/23-50/53-68; 49-61-8-20/22-38-41-42/43-48/23-68-50/53; R:8-40-43-58
• Safety Statements: 53-45-60-61; S:14-16-22-36-61
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H302-H315-H317-H318-H332-H334-H341-H350i-H360D-H372-H410; H272-H302-H315-H317-H318-H332-H334-H341-H350i-H360-H372-H410; H272-H334-H350-H360-H372-H317-H341-H318-H315-H400-H410-H302-H332
• GHS Precautionary statements: P201-P220-P261-P273-P280-P305 + P351 + P338; P221-P273-P201-P308+P313-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges; 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 2725 5.1/PG 3

Product Information

• Purity: ≥96%; ≥97.0% (KT); ≥98.0%; ≥98.5% (KT); 99.9985% (metals basis); 99.999% trace metals basis; Ni 19.8% min
• Grade: puriss.; puriss. p.a.; purum p.a.; SAJ special grade
• Impurities: ≤0.3% subst. not precipitated by H2S (as SO4)
• Cation Traces: Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤10 mg/kg; Cd: ≤50 mg/kg; Co: ≤100 mg/kg; Co: ≤200 mg/kg; Co: ≤500 mg/kg; Cu: ≤10 mg/kg; Cu: ≤20 mg/kg; Cu: ≤50 mg/kg; Fe: ≤10 mg/kg; Fe: ≤50 mg/kg; K: ≤100 mg/kg; K: ≤50 mg/kg; Na: ≤100 mg/kg; Na: ≤50 mg/kg; Pb: ≤10 mg/kg; Pb: ≤50 mg/kg; Zn: ≤10 mg/kg; Zn: ≤50 mg/kg; Zn: ≤500 mg/kg
• Antion Traces: chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤30 mg/kg; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Quality: crystallized
• Linear Formula: Ni(NO3)2 · 6H2O

DETAILS

Sigma Aldrich - 203874

Packaging
20, 100, 500 g in poly bottle
Application
Precursor to "green powder" (ammonium nickel molybdate) which is used as a selective oxidation catalyst for low molecular weight alkanes.1

Sigma Aldrich - 244074

Packaging
100, 500 g in poly bottle