2-(tributylstannyl)pyrazine

• ChemBase ID: 8580
• Molecular Formular: C16H30N2Sn
• Molecular Mass: 369.1238
• Monoisotopic Mass: 370.14309297
• SMILES: c1cnc(cn1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1nccnc1)(CCCC)CCCC
• InChI: InChI=1S/C4H3N2.3C4H9.Sn/c1-2-6-4-3-5-1;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3
• InChIKey: OVBXTKIWZAHFAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tributylstannyl)pyrazine
• IUPAC Traditional name: 2-(tributylstannyl)pyrazine
• Synonyms: (Pyrazin-2-yl)tributylstannane; 2-(Tributylstannyl)pyrazine; (2-Pyrazinyl)tributyltin; Tributylstannylpyrazine; 2-(Tributylstannyl)pyrazine; 2-Tributylstannylpyrazine; 2-Pyrazinyltri-n-butylstannane; Tri-n-butyl-2-pyrazinyltin; 2-(Tri-n-butylstannyl)pyrazine; (2-吡嗪基)三丁基锡; 三丁基锡烷基吡嗪; 2-(三正丁基锡)吡嗪

Database IDs

• CAS Number: 205371-27-3
• MDL Number: MFCD01319077
• PubChem SID: 160971887; 24885295
• PubChem CID: 2737316

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2056227
• LogD (pH = 7.4): 3.205699
• Log P: 3.2057
• Molar Refractivity: 79.8897 cm^3
• Polarizability: 35.973995 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 130 °C/1 mmHg; 130°C/1mm; 130/1mm
• Flash Point: >110°C; >110°C(230°F); >113 °C; >235.4 °F
• Density: 1.1706; 1.1706 g/mL at 25 °C; 1.171
• Refractive Index: 1.5158; 1.5160; n20/D 1.5158

Safety Information

• Storage Warning: KEEP COLD; Toxic/Harmful/Irritant/Air Sensitive/Moisture Sensitive/Store under Argon/Store at -20°C
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2788; 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: 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 2
• Storage Temperature: -20°C

Product Information

• Purity: 90%; 95%; 98%
• Linear Formula: (C4H3N2)Sn[(CH2)3CH3]3

DETAILS

Apollo Scientific Ltd - OR6448

Remainder non-aromatic trialkyl and tetraalkyltins.

Sigma Aldrich - 675660

Application
Microwave-assisted synthesis of substituted pyranones by palladium-catalyzed cross-coupling of arylstannanes with pyranyl triflates.1
Packaging
1 g in glass bottle