4-(tributylstannyl)pyridine

• ChemBase ID: 10565
• Molecular Formular: C17H31NSn
• Molecular Mass: 368.13574
• Monoisotopic Mass: 369.147844
• SMILES: c1([Sn](CCCC)(CCCC)CCCC)ccncc1
• Canonical SMILES: CCCC[Sn](c1ccncc1)(CCCC)CCCC
• InChI: InChI=1S/C5H4N.3C4H9.Sn/c1-2-4-6-5-3-1;3*1-3-4-2;/h2-5H;3*1,3-4H2,2H3
• InChIKey: UNEPXPMBVGDXGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tributylstannyl)pyridine
• IUPAC Traditional name: 4-(tributylstannyl)pyridine
• Synonyms: 4-Tributylstannylpyridine; (Pyridin-4-yl)tributylstannane; 4-(Tributylstannyl)pyridine; 4-Pyridyltri-n-butylstannane; (Tri-n-butyl)-4-pyridyltin; 4-(Tri-n-butylstannyl)pyridine; 4-(三正丁基锡)吡啶

Database IDs

• CAS Number: 124252-41-1
• MDL Number: MFCD01319071
• PubChem SID: 160973872
• PubChem CID: 2737318

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.648982
• LogD (pH = 7.4): 3.816265
• Log P: 3.819
• Molar Refractivity: 81.7331 cm^3
• Polarizability: 36.8356 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT, KEEP COLD, TOXIC; 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: 93%; 96%; 98%