tributyl(ethenyl)stannane

• ChemBase ID: 65052
• Molecular Formular: C14H30Sn
• Molecular Mass: 317.089
• Monoisotopic Mass: 318.13694496
• SMILES: C(=C)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](CCCC)(CCCC)C=C
• InChI: InChI=1S/3C4H9.C2H3.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H,2H2
• InChIKey: QIWRFOJWQSSRJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(ethenyl)stannane
• IUPAC Traditional name: tributyl(ethenyl)stannane
• Synonyms: Tri-n-butylstannylethylene; Tri-n-butyl(vinyl)stannane; Tri-n-butyl(vinyl)tin; Tributyl(vinyl)stannane; Tributylstannylethylene; Tributyl(vinyl)tin; Tributyl(vinyl)tin; (Tributylstannyl)ethene; Vinyltributylstannane; (Tributylstannyl)ethylene; Tributyl(vinyl)stannane; tributyl(ethenyl)stannane; 三正丁基(乙烯基)锡; 三丁基乙烯基锡; 三正丁基(乙烯基)锡; 乙烯基三丁基锡; 三丁基乙烯基锡

Database IDs

• CAS Number: 7486-35-3
• EC Number: 231-291-4
• MDL Number: MFCD00009421
• Beilstein Number: 3537662
• PubChem SID: 24856437; 24890090; 162030791
• PubChem CID: 81998

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.1098
• LogD (pH = 7.4): 7.1098
• Log P: 7.1098
• Molar Refractivity: 67.898 cm^3
• Polarizability: 31.578154 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 104-106 °C/3.5 mmHg(lit.); 104-106°C/3.5mm; 104-106°C/3.5mm
• Flash Point: >110°C(230°F); 109.4 °F; 43 °C
• Density: 1.085; 1.085 g/mL at 25 °C(lit.)
• Refractive Index: 1.4780; n20/D 1.478(lit.)
• Hydrophobicity(logP): 8.87

Safety Information

• Storage Warning: TOXIC; Toxic/Irritant/Moisture Sensitive/Store under Argon
• 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: 10-21-25-36/38-48/23/25-50/53; 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 2788 6.1/PG 3

Product Information

• Purity: ≥97.0% (GC); 95%; 96%; 97%; 98%
• Grade: purum
• Linear Formula: CH2=CHSn[CH3(CH2)3]3

DETAILS

Sigma Aldrich - 271438

Application
Vinyl nucleophile for bromoacetylenes1 and bromoaromatics.2
Packaging
1, 5, 25, 250 g in glass bottle

Sigma Aldrich - 95085

Other Notes
Reagent used for the Pd-catalyzed Stille cross-coupling vinylation 1,2,3,4;