nickel(2+) ion heptahydrate sulfate

• ChemBase ID: 149948
• Molecular Formular: H14NiO11S
• Molecular Mass: 280.86296
• Monoisotopic Mass: 279.96102517
• SMILES: O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Ni+2]
• Canonical SMILES: [O-]S(=O)(=O)[O-].O.O.O.O.O.O.O.[Ni+2]
• InChI: InChI=1S/Ni.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2
• InChIKey: OGKAGKFVPCOHQW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion heptahydrate sulfate
• IUPAC Traditional name: nickel(2+) ion heptahydrate sulfate
• Synonyms: Nickel(II) sulfate heptahydrate; 硫酸镍(II) 七水合物

Database IDs

• CAS Number: 10101-98-1
• EC Number: 232-104-9
• MDL Number: MFCD00149814
• PubChem SID: 24852074; 162244110; 24886382
• PubChem CID: 61474

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystals and lumps
• Density: 1.948 g/mL at 25 °C(lit.)

Safety Information

• RTECS: WT1157000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 49-61-20/22-38-42/43-48/23-50/53-68
• Safety Statements: 53-45-60-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H317-H332-H334-H341-H350i-H360D-H372-H410
• GHS Precautionary statements: P201-P261-P273-P280-P308 + P313-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (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 3077 9/PG 3

Product Information

• Purity: ≥99.0% (KT); 99.999% trace metals basis
• Grade: purum p.a.
• Cation Traces: Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤500 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤100 mg/kg; Na: ≤100 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg
• Quality: crystallized
• Linear Formula: NiSO4 · 7H2O

DETAILS

Sigma Aldrich - 203890

Packaging
10, 50, 250 g in poly bottle