2-bromo-5-(tributylstannyl)pyridine

• ChemBase ID: 141792
• Molecular Formular: C17H30BrNSn
• Molecular Mass: 447.0318
• Monoisotopic Mass: 447.05835597
• SMILES: CCCC[Sn](CCCC)(CCCC)c1ccc(nc1)Br
• Canonical SMILES: CCCC[Sn](c1ccc(nc1)Br)(CCCC)CCCC
• InChI: InChI=1S/C5H3BrN.3C4H9.Sn/c6-5-3-1-2-4-7-5;3*1-3-4-2;/h1,3-4H;3*1,3-4H2,2H3
• InChIKey: PHUCQXUSEZANQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(tributylstannyl)pyridine
• IUPAC Traditional name: 2-bromo-5-(tributylstannyl)pyridine
• Synonyms: 2-Bromo-5-(tributylstannyl)pyridine; 2-溴-5-(三丁基甲锡烷基)吡啶

Database IDs

• CAS Number: 1008756-65-7
• MDL Number: MFCD10699137
• PubChem SID: 162236026
• PubChem CID: 24786296

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.008218
• LogD (pH = 7.4): 5.008299
• Log P: 5.0083
• Molar Refractivity: 90.1981 cm^3
• Polarizability: 39.75 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 150-154 °C/2 mmHg
• Flash Point: >110 °C; >230 °F
• Density: 1.314 g/mL at 25 °C
• Refractive Index: n20/D 1.537

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2788
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 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
• RID/ADR: UN 2788 6.1/PG 3

Product Information

• Purity: 97% (H-NMR)
• Empirical Formula (Hill Notation): C17H30BrNSn

DETAILS

Sigma Aldrich - 704849

Packaging
1 g in glass bottle