3-fluoro-4-(tributylstannyl)pyridine

• ChemBase ID: 141571
• Molecular Formular: C17H30FNSn
• Molecular Mass: 386.1262032
• Monoisotopic Mass: 387.13842219
• SMILES: CCCC[Sn](CCCC)(CCCC)c1ccncc1F
• Canonical SMILES: CCCC[Sn](c1ccncc1F)(CCCC)CCCC
• InChI: InChI=1S/C5H3FN.3C4H9.Sn/c6-5-2-1-3-7-4-5;3*1-3-4-2;/h1,3-4H;3*1,3-4H2,2H3
• InChIKey: KKOFZNIMGWDVQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-4-(tributylstannyl)pyridine
• IUPAC Traditional name: 3-fluoro-4-(tributylstannyl)pyridine
• Synonyms: 3-Fluoro-4-(tributylstannyl)pyridine; 3-氟-4-(三正丁基锡)吡啶

Database IDs

• CAS Number: 259807-88-0
• MDL Number: MFCD11044865
• PubChem SID: 162235805
• PubChem CID: 22273601

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9576852
• LogD (pH = 7.4): 3.9584897
• Log P: 3.9585
• Molar Refractivity: 81.9495 cm^3
• Polarizability: 36.569668 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.773 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 35-36/37/39-45-60-61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H315-H319-H372-H410
• GHS Precautionary statements: P273-P280-P301 + P310-P305 + P351 + P338-P314-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2788 6.1/PG 3
• Storage Temperature: -20°C

Product Information

• Purity: ≥98%
• Empirical Formula (Hill Notation): C17H30FNSn

DETAILS

Sigma Aldrich - 698601

Packaging
1, 5 g in glass bottle