tributyl(ethynyl)stannane

• ChemBase ID: 64173
• Molecular Formular: C14H28Sn
• Molecular Mass: 315.07312
• Monoisotopic Mass: 316.1212949
• SMILES: C(#C)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](C#C)(CCCC)CCCC
• InChI: InChI=1S/3C4H9.C2H.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H
• InChIKey: YEMJHNYABQHWHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(ethynyl)stannane
• IUPAC Traditional name: tributyl(ethynyl)stannane
• Synonyms: Tributylstannylacetylene; Ethynyltri-n-butylstannane; Tri-n-butyl(ethynyl)tin; Ethynyltri-n-butyltin; Ethynyltributylstannane; Tributylstannylacetylene; Ethynyltributylstannane; 三丁基乙烯锡; 乙炔基三正丁基锡

Database IDs

• CAS Number: 994-89-8
• MDL Number: MFCD00009420
• Beilstein Number: 3537659
• PubChem SID: 162029912; 24856626
• PubChem CID: 621176

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.7901
• LogD (pH = 7.4): 6.7901
• Log P: 6.7901
• Molar Refractivity: 65.3987 cm^3
• Polarizability: 30.739769 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 70 °C/0.2 mmHg(lit.); 70°C/0.2mm
• Flash Point: 165.2 °F; 73°C(163°F); 74 °C
• Density: 1.080; 1.089 g/mL at 25 °C(lit.)
• Refractive Index: 1.4770; n20/D 1.476(lit.)

Safety Information

• Storage Warning: IRRITANT; Moisture Sensitive
• European Hazard Symbols: Nature polluting (N); Toxic (T); Harmful (Xn)
• 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: 35-36/37/39-45-60-61
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H315-H319-H372-H400; H301-H312-H315-H319-H372-H400-H410-H227
• GHS Precautionary statements: P210-P260-P301+P310-P305+P351+P338-P405-P501A; P273-P280-P301 + P310-P305 + P351 + P338-P314
• 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%; 96%
• Linear Formula: HC≡CSn(CH2CH2CH2CH3)3

DETAILS

Sigma Aldrich - 275069

Packaging
1, 5 g in glass bottle
Application
Used to prepare vinylstannanes1 and stannylisoxazoles.2 Ethynylation reagent for azaaromatics.3