bis(triphenylstannylium) oxidandiide

• ChemBase ID: 295889
• Molecular Formular: C36H30OSn2
• Molecular Mass: 716.0248
• Monoisotopic Mass: 718.03405358
• SMILES: c1ccc(cc1)[Sn+](c1ccccc1)c1ccccc1.c1ccc(cc1)[Sn+](c1ccccc1)c1ccccc1.[O-2]
• Canonical SMILES: c1ccc(cc1)[Sn+](c1ccccc1)c1ccccc1.c1ccc(cc1)[Sn+](c1ccccc1)c1ccccc1.[O-2]
• InChI: InChI=1S/6C6H5.O.2Sn/c6*1-2-4-6-5-3-1;;;/h6*1-5H;;;/q;;;;;;-2;2*+1
• InChIKey: WXIRQWKQRDHYRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(triphenylstannylium) oxidandiide
• IUPAC Traditional name: bis(fentin) oxidandiide
• Synonyms: Hexaphenyl distannoxane; Bis(triphenyltin) oxide; 氧化双(三苯基锡)

Database IDs

• CAS Number: 1262-21-1
• EC Number: 215-025-4
• MDL Number: MFCD00003005
• Beilstein Number: 4166537
• PubChem SID: 180681420
• PubChem CID: 10462550

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3066
• LogD (pH = 7.4): 4.3066
• Log P: 4.3066
• Molar Refractivity: 76.4229 cm^3
• Polarizability: 34.424286 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 119-123°C

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3146
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 23/24/25-50/53
• Safety Statements: 26-27/28-45-60-61
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS09
• GHS Hazard statements: H301-H311-H331-H400-H410
• GHS Precautionary statements: P261-P301+P310-P361-P302+P352-P405-P501A

Product Information

• Purity: 98%