zinc(2+) ion dichloride

• ChemBase ID: 105596
• Molecular Formular: Cl2Zn
• Molecular Mass: 136.286
• Monoisotopic Mass: 133.86684736
• SMILES: [Cl-].[Cl-].[Zn+2]
• Canonical SMILES: [Cl-].[Cl-].[Zn+2]
• InChI: InChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2
• InChIKey: JIAARYAFYJHUJI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion dichloride
• IUPAC Traditional name: zinc(2+) ion dichloride; zinc, ion (zn2+) dichloride
• Synonyms: Zinc chloride, 1M in diethyl ether; Zinc chloride hydrate, Puratronic®; Zinc chloride, ultra dry; Zinc chloride, anhydrous; ZINC CHLORIDE; Butter of zinc; Chlorure de zinc; Chlorure de zinc anhydre; Cloruro de cinc; Dichlorek cynku (Chlorek cynku); Zinkklorid; Cloreto de zinco; Zinkchlorid; Sinkkikloridi; Sinkklorio; ZINC CHLORIDE ACS REAGENT GRADE; ZINC CHLORIDE, USP; Zinc chloride, ACS; Zinc chloride hydrate; 氯化锌, 1M乙醚溶液; 氯化锌, 超干; 氯化锌水合物, Puratronic®; 氯化锌, 无水; 氯化锌,超干; 无水氯化锌; 氯化锌, ACS; 氯化锌, 1M乙醚溶液, 氩气下可重封的ChemSeal™瓶包装; 氯化锌水合物

Database IDs

• CAS Number: 7646-85-7
• EC Number: 231-592-0
• MDL Number: MFCD00011295
• Merck Index: 1410132
• PubChem SID: 162092368
• PubChem CID: 3007855

CALCULATED PROPERTIES

• Acid pKa: -7.0
• 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

PROPERTIES

Physical Property

• Solubility: Freely soluble in water, dilute HCl, alcohol, glycerol, acetone, ether. Zinc oxychloride forms with much water
• Apperance: -10 Mesh Beads, Ampouled under argon; -10 Mesh Crystalline Aggregates; Crystalline Aggregates; Liquid; Lump; Powder, Ampouled under argon
• Melting Point: 290°C; 293°C
• Boiling Point: 732°C; 732°C
• Flash Point: -40°C(-40°F)
• Density: 0.835; 2.907 g/ml; 2.91
• Vapor Pressure: 1.33 hPa at 428°C

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• Storage Warning: Hygroscopic
• RTECS: ZH1400000
• European Hazard Symbols: Corrosive (C); Highly flammable (F+); Nature polluting (N); X
• UN Number: 2331; UN2331; UN2924; UN3260
• Hazard Class: 3; 8
• Packing Group: I; III
• Australian Hazchem: 2X
• Risk Statements: 12-19-22-34-50/53-66-67; 22-34-50/53; 34-50/53; R:22-34-50/53
• Safety Statements: 1/2-26-36/37/39-45-60-61; 26-36/37/39-45-60-61; 7/8-28-45-60-61; 7/8-9-16-28-29-33-45-60-61; S:28-29-45-60
• EU Classification: C2
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07; GHS09
• GHS Hazard statements: H224-H314-H318-H400-H410-H302-H336; H314-H318-H400-H410-H302; H314-H400-H410-H302
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: ≥97%; 97%; 98+%; 99.99% (metals basis); 99.999% (metals basis)
• Concentration: 1M in diethyl ether
• Grade: ACS; REAGENT; USP
• Packaging: packaged under Argon in resealable ChemSeal? bottles

DETAILS

MP Biomedicals - 02194858

Molecular Biology Reagent
Purity: >97%

MP Biomedicals - 02193899

Purity: >97%

MP Biomedicals - 02191451

ACS Reagent Grade
Purity: > 97%
Crystalline

REFERENCES

• Reacts with NaBH₄ in ether or THF to give zinc borohydride; Zn(BH₄)₂, which is used in situ as a versatile, non-basic, selective reducing agent. Review: Synlett, 885 (1993). The reactivity of Zn(BH₄)₂ has the advantage of being relatively non-toxic. See, e.g.: Selective reduction of aldehydes in the presence of ketones: Tetrahedron Lett., 31, 7663 (1990). Reduction of aliphatic esters to alcohols: Indian J. Chem B, 31B, 701 (1992). Reduction of indoles to indolines: Heterocycles, 26, 1771 (1987). In combination with trifluoroacetic anhydride for the selective reduction of acids to alcohols: J. Chem. Soc., Perkin 1, 1561 (1992). The same reduction has also been performed by Zn(BH₄)₂ alone in refluxing THF: J. Org. Chem., 60, 5314 (1995). In combination with paraformaldehyde, for reductive alkylation of amines: J. Chem. Soc., Perkin 1, 1 (1994).
• Mild Lewis acid catalyst in a wide variety of reactions.
• Catalyst for the Hoesch reaction for the acylation of reactive aromatics with nitriles. For an example, see: Org. Synth. Coll., 2, 522 (1943).
• Effective catalyst for the Knoevenagel condensation; see: Tetrahedron Lett., 32, 5821 (1991).
• Milder catalyst than Titanium(IV) chloride, 14713, for the ɑ-tert-alkylation of sensitive silyl enol ethers: Chem. Ber., 113, 3734 (1980).