dicyclohexylstannanebis(ylium) dibromide

• ChemBase ID: 303881
• Molecular Formular: C12H22Br2Sn
• Molecular Mass: 444.81208
• Monoisotopic Mass: 443.9110187
• SMILES: C1CCC(CC1)[Sn+2]C1CCCCC1.[Br-].[Br-]
• Canonical SMILES: C1CCC(CC1)[Sn+2]C1CCCCC1.[Br-].[Br-]
• InChI: InChI=1S/2C6H11.2BrH.Sn/c2*1-2-4-6-5-3-1;;;/h2*1H,2-6H2;2*1H;/q;;;;+2/p-2
• InChIKey: RHFTTZVNBAHQBF-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexylstannanebis(ylium) dibromide
• IUPAC Traditional name: dicyclohexylstannanebis(ylium) dibromide
• Synonyms: Dicyclohexyltin dibromide; 二环己基二溴化锡

Database IDs

• CAS Number: 2954-94-1
• MDL Number: MFCD00015370

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7262
• LogD (pH = 7.4): 2.7262
• Log P: 2.7262
• Molar Refractivity: 53.3234 cm^3
• Polarizability: 26.033806 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 58-64°C
• Boiling Point: ca 150°C/0.3mm

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Toxic (T)
• UN Number: UN3146
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 25-36/37/38
• Safety Statements: 26-36/37-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A