2-fluoro-3-(tributylstannyl)pyridine

• ChemBase ID: 64176
• Molecular Formular: C17H30FNSn
• Molecular Mass: 386.1262032
• Monoisotopic Mass: 387.13842219
• SMILES: c1(c([Sn](CCCC)(CCCC)CCCC)cccn1)F
• Canonical SMILES: CCCC[Sn](c1cccnc1F)(CCCC)CCCC
• InChI: InChI=1S/C5H3FN.3C4H9.Sn/c6-5-3-1-2-4-7-5;3*1-3-4-2;/h1-2,4H;3*1,3-4H2,2H3
• InChIKey: UEIDBUBBTLTCOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-3-(tributylstannyl)pyridine
• IUPAC Traditional name: 2-fluoro-3-(tributylstannyl)pyridine
• Synonyms: 2-Fluoro-3-(tributylstannyl)pyridine; 2-Fluoro-3-(tributylstannyl)pyridine; 2-氟-3-(三正丁基锡)吡啶

Database IDs

• CAS Number: 155533-81-6
• MDL Number: MFCD07787400
• PubChem SID: 162029915
• PubChem CID: 11090319

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4156995
• LogD (pH = 7.4): 4.4157
• Log P: 4.4157
• Molar Refractivity: 82.9642 cm^3
• Polarizability: 36.56932 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.176 g/mL at 25 °C
• Refractive Index: n20/D 1.508

Safety Information

• Storage Warning: IRRITANT; Toxic
• 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
• TSCA Listed: false
• 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

Product Information

• Purity: 96%; 97%
• Empirical Formula (Hill Notation): C17H30FNSn

DETAILS

Sigma Aldrich - 696692

Packaging
1, 5 g in glass bottle