8-(tributylstannyl)quinoline

• ChemBase ID: 64230
• Molecular Formular: C21H33NSn
• Molecular Mass: 418.19442
• Monoisotopic Mass: 419.16349406
• SMILES: c1(c2ncccc2ccc1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cccc2c1nccc2)(CCCC)CCCC
• InChI: InChI=1S/C9H6N.3C4H9.Sn/c1-2-6-9-8(4-1)5-3-7-10-9;3*1-3-4-2;/h1-5,7H;3*1,3-4H2,2H3
• InChIKey: CFXBLYUOIPJSEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(tributylstannyl)quinoline
• IUPAC Traditional name: 8-(tributylstannyl)quinoline
• Synonyms: 8-[Tris(but-1-yl)stannyl]quinoline; Quinoline-8-tributylstannane; 8-Quinolinetri-n-butylstannane; (Tri-n-butyl)-8-quinolinyltin; 8-(Tri-n-butylstannyl)quinoline; 8-(三正丁基锡)喹啉

Database IDs

• CAS Number: 478282-21-2
• MDL Number: MFCD09265482
• PubChem SID: 162029969
• PubChem CID: 12179403

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.138854
• LogD (pH = 7.4): 5.2191634
• Log P: 5.2203
• Molar Refractivity: 97.8113 cm^3
• Polarizability: 44.30709 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Toxic
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN2788
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 36/37/39-45-60-61
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H301-H312-H315-H319-H372-H400-H410
• GHS Precautionary statements: P280-P273-P309-P310-P501A

Product Information

• Purity: 95%