2-bromo-6-(tributylstannyl)pyridine

• ChemBase ID: 64769
• Molecular Formular: C17H30BrNSn
• Molecular Mass: 447.0318
• Monoisotopic Mass: 447.05835597
• SMILES: c1c(nc(cc1)Br)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cccc(n1)Br)(CCCC)CCCC
• InChI: InChI=1S/C5H3BrN.3C4H9.Sn/c6-5-3-1-2-4-7-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3
• InChIKey: ZRPIKMNUVOBWBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(tributylstannyl)pyridine
• IUPAC Traditional name: 2-bromo-6-(tributylstannyl)pyridine
• Synonyms: 2-Bromo-6-(tributylstannyl)pyridine; 2-Bromo-6-(tributylstannyl)pyridine; (2-Bromopyridin-6-yl)tributylstannane; 2-Bromo-6-(tributylstannyl)pyridine 95+%; (6-bromopyrid-2-yl)tributylstannane; 2-溴-6-(三丁基甲锡烷基)吡啶

Database IDs

• CAS Number: 189083-81-6
• MDL Number: MFCD11706981
• PubChem SID: 162030508
• PubChem CID: 24787029

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.706393
• LogD (pH = 7.4): 5.7068934
• Log P: 5.7069
• Molar Refractivity: 90.5116 cm^3
• Polarizability: 39.75022 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 144-160 °C; 144-160°C
• Flash Point: >110 °C; >230 °F; 110°C
• Density: 1.294; 1.294 g/mL at 25 °C
• Refractive Index: n20/D 1.534

Safety Information

• Storage Warning: IRRITANT; Toxic/Air Sensitive/Moisture Sensitive/Store under Argon
• 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: 95%; 97% (H-NMR)
• Empirical Formula (Hill Notation): C17H30BrNSn

DETAILS

Sigma Aldrich - 704865

Packaging
1 g in glass bottle