nickel(2+) ion dichloride

• ChemBase ID: 128590
• Molecular Formular: Cl2Ni
• Molecular Mass: 129.5994
• Monoisotopic Mass: 127.87304826
• SMILES: [Ni+2].[Cl-].[Cl-]
• Canonical SMILES: [Cl-].[Cl-].[Ni+2]
• InChI: InChI=1S/2ClH.Ni/h2*1H;/q;;+2/p-2
• InChIKey: QMMRZOWCJAIUJA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion dichloride
• IUPAC Traditional name: nickel(2+) ion dichloride
• Synonyms: Nickel(II) chloride, ultra dry; Nickelous chloride; nickel(II) salt of hydrochloric acid; Nickel(II) chloride; Nickel(II) chloride hexahydrate; Nickel(II) chloride, anhydrous; 氯化镍(II),无水; 氯化镍(II), 超干; 氯化镍(II)六水合物; 无水氯化镍(II)

Database IDs

• CAS Number: 7791-20-0; 7718-54-9
• EC Number: 231-743-0
• MDL Number: MFCD00011142; MFCD00149809
• Merck Index: 146505
• PubChem SID: 162222897
• PubChem CID: 24385; 158404
• CHEBI ID: 34887
• Chemspider ID: 22796
• KEGG ID: C14711
• Wikipedia Title: Nickel(II)_chloride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8327582
• LogD (pH = 7.4): 0.8327582
• Log P: 0.6123387
• Molar Refractivity: 5.6156 cm^3
• Polarizability: 2.1090326 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: -7.0

PROPERTIES

Physical Property

• Solubility: anhydrous ; 64.2 g/100 mL (20 °C) ; 87.6 g/100 mL (100 °C)

  ---

  hexahydrate ; 254 g/100 mL (20 °C) ; 600 g/100 mL (100 °C) in water; 0.8 g/100 mL (hydrazine) ; soluble in ethylene glycol, ethanol, ammonium hydroxide ; insoluble in ammonia, nitric acid
• Apperance: Crystalline Powder; Powder; Powder, Ampouled under argon; yellow-brown crystals ; deliquescent (anhydrous) ; green crystals (hexahydrate)
• Melting Point: 1001 °C (anhydrous) ; 140 °C (hexahydrate); 1001°C; 140°C -H{2}O
• Flash Point: Non-flammable
• Density: 1.92; 3.55; 3.55 g/cm^3 (anhydrous) ; 1.92 g/cm^3 (hexahydrate)
• pKa: 4 (hexahydrate)
• Odor: odorless
• Std enthalpy of formation: -316 kJ·mol^-1
• Std molar entropy: 107 J·mol^-1·K^-1

Safety Information

• Storage Warning: Hygroscopic
• RTECS: QR6475000; QR6480000
• European Hazard Symbols: Carc. Cat. 1; Dangerous for the environment (N); Irritant (Xi); Muta. Cat. 3; Nature polluting (N); Repr. Cat. 2; Toxic (T); Toxic (T)
• UN Number: UN3288
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 49-61-23/25-38-42/43-48/23-68-50/53; R49, R61, R23/25, R38, R42/43, R48/23, R68, R50/53
• Safety Statements: 53-45-60-61; S53, S45, S60, S61
• TSCA Listed: 是
• EU Index: 028-011-00-6
• GHS Pictograms: GHS06; GHS08; GHS09
• NFPA704:
  

  0

  2

  0
• GHS Hazard statements: H301-H331-H315-H317-H334-H350-H360-H372-H341-H400-H410
• GHS Precautionary statements: P260-P285-P301+P310-P302+P352-P405-P501A; P273-P201-P309+P311-P501A

Product Information

• Purity: 98%; 99% (metals basis); 99.9% (metals basis); 99.99% (metals basis)

REFERENCES

• In combination with Zn, effects selective reduction of benzaldehydes to benzyl alcohols, ɑ?-enones to saturated ketones, and nitroarenes to anilines: Chem. Pharm. Bull., 38, 2097 (1990).
• Catalyst for Suzuki cross-coupling of arylboronic acids with aryl halides under mild conditions: Tetrahedron Lett., 43, 4009 (2002).
• For a brief feature on uses of NiCl₂ and its hydrate in synthesis, see: Synlett, 279 (2003).
• For formation and reactions of nickel boride, see Sodium borohydride, 35788.
• For a brief feature on uses of NiCl₂ and its hydrate in synthesis, see: Synlett, 279 (2003).