diphenylstannanone

• ChemBase ID: 150750
• Molecular Formular: C12H10OSn
• Molecular Mass: 288.9082
• Monoisotopic Mass: 289.97535894
• SMILES: c1ccc(cc1)[Sn](=O)c1ccccc1
• Canonical SMILES: O=[Sn](c1ccccc1)c1ccccc1
• InChI: InChI=1S/2C6H5.O.Sn/c2*1-2-4-6-5-3-1;;/h2*1-5H
• InChIKey: VPPWQRIBARKZNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenylstannanone
• IUPAC Traditional name: diphenylstannanone
• Synonyms: Oxodiphenyltin(IV); Diphenyltin(IV) oxide; 氧化二苯锡; 二苯基氧化锡

Database IDs

• CAS Number: 2273-51-0
• EC Number: 218-883-8
• MDL Number: MFCD00058851
• PubChem SID: 24871619; 162244910
• PubChem CID: 75280

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3529534
• LogD (pH = 7.4): 2.3529994
• Log P: 2.353
• Molar Refractivity: 52.3915 cm^3
• Polarizability: 25.316977 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 320 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 3146
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3146 6.1/PG 3

Product Information

• Purity: 97%
• Linear Formula: (C6H5)2Sn(=O)

DETAILS

Sigma Aldrich - 479462

Packaging
5 g in glass bottle