2,3-difluoro-4-(tributylstannyl)pyridine

• ChemBase ID: 64382
• Molecular Formular: C17H29F2NSn
• Molecular Mass: 404.1166664
• Monoisotopic Mass: 405.12900037
• SMILES: c1(c([Sn](CCCC)(CCCC)CCCC)ccnc1F)F
• Canonical SMILES: CCCC[Sn](c1ccnc(c1F)F)(CCCC)CCCC
• InChI: InChI=1S/C5H2F2N.3C4H9.Sn/c6-4-2-1-3-8-5(4)7;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3
• InChIKey: UZBXWEMZNTZREM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-difluoro-4-(tributylstannyl)pyridine
• IUPAC Traditional name: 2,3-difluoro-4-(tributylstannyl)pyridine
• Synonyms: 2,3-Difluoro-4-(tributylstannyl)pyridine; 2,3-Difluoro-4-(tributylstannyl)pyridine

Database IDs

• CAS Number: 1245816-05-0
• MDL Number: MFCD10699151
• PubChem SID: 162030121
• PubChem CID: 44118226

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.5552
• LogD (pH = 7.4): 4.5552
• Log P: 4.5552
• Molar Refractivity: 83.1806 cm^3
• Polarizability: 36.341053 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: 1.233 g/mL at 25 °C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• German water hazard class: 3
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 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

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C17H29F2NSn

DETAILS

Sigma Aldrich - 739480

Packaging
1, 5 g in glass bottle