dichlorozinc; bis(oxolane)

• ChemBase ID: 143341
• Molecular Formular: C8H16Cl2O2Zn
• Molecular Mass: 280.49744
• Monoisotopic Mass: 277.98187711
• SMILES: C1CCOC1.C1CCOC1.Cl[Zn]Cl
• Canonical SMILES: C1CCCO1.C1CCCO1.Cl[Zn]Cl
• InChI: InChI=1S/2C4H8O.2ClH.Zn/c2*1-2-4-5-3-1;;;/h2*1-4H2;2*1H;/q;;;;+2/p-2
• InChIKey: YKZBFJVZMFIZLW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichlorozinc; bis(oxolane)
• IUPAC Traditional name: bis(tetrahydrofuran); zinc chloride
• Synonyms: Dichlorobis(tetrahydrofuran)zinc; Zinc chloride tetrahydrofuran complex (1:2)

Database IDs

• CAS Number: 24640-76-4
• MDL Number: MFCD09751421
• PubChem SID: 162237561
• PubChem CID: 12742111

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.53034693
• LogD (pH = 7.4): 0.53034693
• Log P: 0.53034693
• Molar Refractivity: 20.5535 cm^3
• Polarizability: 8.060449 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113-118 °C
• Flash Point: 170.6 °F; 77 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• German water hazard class: nwg
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): Cl2Zn · 2C4H8O

DETAILS

Sigma Aldrich - 729272

Packaging
5, 25 g in glass bottle