2-(tributylstannyl)pyridine

• ChemBase ID: 8581
• Molecular Formular: C17H31NSn
• Molecular Mass: 368.13574
• Monoisotopic Mass: 369.147844
• SMILES: c1cnc(cc1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccccn1)(CCCC)CCCC
• InChI: InChI=1S/C5H4N.3C4H9.Sn/c1-2-4-6-5-3-1;3*1-3-4-2;/h1-4H;3*1,3-4H2,2H3
• InChIKey: GYUURHMITDQTRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tributylstannyl)pyridine
• IUPAC Traditional name: 2-(tributylstannyl)pyridine
• Synonyms: 2-(1,1,1-tributylstannyl)pyridine; Tri-n-butyl-2-pyridyltin; 2-(Tri-n-butylstannyl)pyridine; 2-(TRIBUTYLSTANNYL)PYRIDINE; 2-Tributylstannylpyridine; Tris(but-1-yl)(pyridin-2-yl)tin; (Pyridin-2-yl)tributylstannane; 2-(Tributylstannyl)pyridine 85-95%; 2-(Tributylstannyl)pyridine; 2-(三-正-丁基甲锡烷基)吡啶; 2-三正丁基甲锡烷基吡啶

Database IDs

• CAS Number: 17997-47-6
• EC Number: 000-000-0
• MDL Number: MFCD00052052
• Beilstein Number: 479329
• PubChem SID: 160971888; 24885423
• PubChem CID: 607784

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7735121
• LogD (pH = 7.4): 4.491668
• Log P: 4.5176
• Molar Refractivity: 82.0466 cm^3
• Polarizability: 36.835804 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 130-132°C/0.8 mm; 130-132°C/0.8mm; 132-134°C/1mm
• Flash Point: 23 °C; 24°C; 73.4 °F
• Density: 1.137; 1.137 g/mL at 25 °C; 1.14; 1.15
• Refractive Index: 1.5130

Safety Information

• Storage Warning: IRRITANT, KEEP COLD, TOXIC; Toxic/Flammable/Air Sensitive/Moisture Sensitive/Store under Argon/Store at -20°C
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2929; UN2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; III
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 35-36/37/39-45-60-61; 36/37/39-45-60-61
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H301-H312-H315-H319-H372-H410; H301-H312-H315-H319-H372-H400-H410
• GHS Precautionary statements: P260-P301+P310-P305+P351+P338-P302+P352-P405-P501A; 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 2929 6.1/PG 2
• Storage Temperature: -20°C

Product Information

• Purity: 85%; 90%; 98%; TECH; tech. 80%
• Linear Formula: C5H4NSn((CH2)3CH3)3

DETAILS

Apollo Scientific Ltd - OR3779

Remainder tributyltin halide.

Sigma Aldrich - 678333

Application
Building block in an efficient, palladium-catalyzed synthesis of 2-pyridylazaazulene, a bidentate ligand showing pH and cationic-metal dependent emission spectra.1
Packaging
1, 5 g in glass bottle