2-fluoro-4-(tributylstannyl)pyridine

• ChemBase ID: 64185
• Molecular Formular: C17H30FNSn
• Molecular Mass: 386.1262032
• Monoisotopic Mass: 387.13842219
• SMILES: c1c([Sn](CCCC)(CCCC)CCCC)ccnc1F
• Canonical SMILES: CCCC[Sn](c1ccnc(c1)F)(CCCC)CCCC
• InChI: InChI=1S/C5H3FN.3C4H9.Sn/c6-5-3-1-2-4-7-5;3*1-3-4-2;/h2-4H;3*1,3-4H2,2H3
• InChIKey: YGKPEWRENKJYRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-(tributylstannyl)pyridine
• IUPAC Traditional name: 2-fluoro-4-(tributylstannyl)pyridine
• Synonyms: 2-Fluoro-4-(tributylstannyl)pyridine; 2-Fluoro-4-(tributylstannyl)pyridine; 2-氟-4-(三正丁基锡)吡啶

Database IDs

• CAS Number: 457061-31-3
• MDL Number: MFCD07787405
• PubChem SID: 162029924
• PubChem CID: 16427099

CALCULATED PROPERTIES

• LogD (pH = 5.5): 4.4157
• LogD (pH = 7.4): 4.4157
• Log P: 4.4157
• Molar Refractivity: 82.9642 cm^3
• Polarizability: 36.569 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.187 g/mL at 25 °C
• Refractive Index: n20/D 1.508

Safety Information

• Storage Warning: IRRITANT; Toxic
• UN Number: 2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• TSCA Listed: false
• RID/ADR: UN 2788 6.1/PG 3

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C17H30FNSn

DETAILS

Sigma Aldrich - 719315

Packaging
1, 5 g in glass bottle