2-chloro-6-(tributylstannyl)pyridine

• ChemBase ID: 64387
• Molecular Formular: C17H30ClNSn
• Molecular Mass: 402.5808
• Monoisotopic Mass: 403.10887165
• SMILES: n1c([Sn](CCCC)(CCCC)CCCC)cccc1Cl
• Canonical SMILES: CCCC[Sn](c1cccc(n1)Cl)(CCCC)CCCC
• InChI: InChI=1S/C5H3ClN.3C4H9.Sn/c6-5-3-1-2-4-7-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3
• InChIKey: SRBYIFPGENOZFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(tributylstannyl)pyridine
• IUPAC Traditional name: 2-chloro-6-(tributylstannyl)pyridine
• Synonyms: 2-(Tributylstannyl)-6-chloropyridine; 2-Chloro-6-(tributylstannyl)pyridine; 6-Chloro-2-(tributylstannyl)pyridine; 2-氯-6-(三丁基锡基)吡啶

Database IDs

• CAS Number: 263698-99-3
• MDL Number: MFCD10699155
• PubChem SID: 162030126
• PubChem CID: 11784418

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.4060774
• LogD (pH = 7.4): 5.406297
• Log P: 5.4063
• Molar Refractivity: 87.9127 cm^3
• Polarizability: 38.80994 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 118.4 °F; 48 °C
• Density: 1.191 g/mL at 25 °C

Safety Information

• Storage Warning: IRRITANT
• UN Number: 1992
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• TSCA Listed: false
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• RID/ADR: UN 1992 3/PG 3

Product Information

• Purity: 95+%
• Empirical Formula (Hill Notation): C17H30ClNSn

DETAILS

Sigma Aldrich - 719609

Packaging
1 g in glass bottle
500 mg in glass bottle