3-(tributylstannyl)pyridine

• ChemBase ID: 10564
• Molecular Formular: C17H31NSn
• Molecular Mass: 368.13574
• Monoisotopic Mass: 369.147844
• SMILES: c1([Sn](CCCC)(CCCC)CCCC)cccnc1
• Canonical SMILES: CCCC[Sn](c1cccnc1)(CCCC)CCCC
• InChI: InChI=1S/C5H4N.3C4H9.Sn/c1-2-4-6-5-3-1;3*1-3-4-2;/h1-2,4-5H;3*1,3-4H2,2H3
• InChIKey: CFQJBWKKHCMCGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(tributylstannyl)pyridine
• IUPAC Traditional name: 3-(tributylstannyl)pyridine
• Synonyms: 3-Tris(but-1-ylstannyl)pyridine; 3-(1,1,1-tributylstannyl)pyridine; 3-(TRIBUTYLSTANNYL)PYRIDINE; 3-Pyridyltri-n-butyltin; Tri-n-butyl-3-pyridyltin; 3-(Tri-n-butylstannyl)pyridine; 3-Tributylstannylpyridine; 3-Pyridyltributylstannane; 3-(Tributylstannyl)pyridine; 3-吡啶基三丁基锡烷; 3-(三正丁基锡)吡啶

Database IDs

• CAS Number: 59020-10-9
• MDL Number: MFCD00052054
• PubChem SID: 160973871
• PubChem CID: 3483848

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5851305
• LogD (pH = 7.4): 3.8148386
• Log P: 3.819
• Molar Refractivity: 81.7331 cm^3
• Polarizability: 36.835487 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 140-146°C/0.7mm
• Flash Point: >110 °C; >230 °F
• Density: 1.153; 1.153 g/mL at 25 °C

Safety Information

• Storage Warning: IRRITANT, KEEP COLD, TOXIC; Toxic
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2788; UN2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 36/37/39-45-60-61
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H315-H319-H372-H400-H410; H301-H312-H315-H319-H372-H410
• GHS Precautionary statements: P273-P280-P301 + P310-P305 + P351 + P338-P314-P501; P280-P273-P309-P310-P501A
• 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
• Storage Temperature: -20°C

Product Information

• Purity: 90%; 93%; 97%; 98%
• Empirical Formula (Hill Notation): C17H31NSn

DETAILS

Sigma Aldrich - 698598

Packaging
1, 5 g in glass bottle