butyl(hydroxy)stannanone

• ChemBase ID: 295484
• Molecular Formular: C4H10O2Sn
• Molecular Mass: 208.822
• Monoisotopic Mass: 209.97027356
• SMILES: CCCC[Sn](=O)O
• Canonical SMILES: CCCC[Sn](=O)O
• InChI: InChI=1S/C4H9.H2O.O.Sn/c1-3-4-2;;;/h1,3-4H2,2H3;1H2;;/q;;;+1/p-1
• InChIKey: WIHMDCQAEONXND-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl(hydroxy)stannanone
• IUPAC Traditional name: stannane, butylhydroxyoxo-
• Synonyms: n-Butylhydroxyoxostannane; n-Butyltin hydroxide oxide; 正丁基氢氧化氧化锡

Database IDs

• CAS Number: 2273-43-0
• EC Number: 218-880-1
• MDL Number: MFCD00013927
• PubChem SID: 180681015
• PubChem CID: 16767

CALCULATED PROPERTIES

• Acid pKa: 3.0
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4552774
• LogD (pH = 7.4): -2.649555
• Log P: -0.3889
• Molar Refractivity: 23.7438 cm^3
• Polarizability: 14.227984 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: X
• UN Number: UN3146
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 9-26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%