tributyl(2-phenylethynyl)stannane

• ChemBase ID: 65053
• Molecular Formular: C20H32Sn
• Molecular Mass: 391.16908
• Monoisotopic Mass: 392.15259502
• SMILES: C(#Cc1ccccc1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](C#Cc1ccccc1)(CCCC)CCCC
• InChI: InChI=1S/C8H5.3C4H9.Sn/c1-2-8-6-4-3-5-7-8;3*1-3-4-2;/h3-7H;3*1,3-4H2,2H3
• InChIKey: PYMPTRMDPJYTDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(2-phenylethynyl)stannane
• IUPAC Traditional name: tributyl(2-phenylethynyl)stannane
• Synonyms: Tributyl(phenylethynyl)tin; Tributyl(phenylethynyl)tin; 苯基乙炔三丁基锡

Database IDs

• CAS Number: 3757-88-8
• MDL Number: MFCD00075186
• PubChem SID: 24860802; 162030792
• PubChem CID: 630640

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.5955
• LogD (pH = 7.4): 8.5955
• Log P: 8.5955
• Molar Refractivity: 88.063 cm^3
• Polarizability: 40.28166 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 1.116 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.532(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 35-36/37/39-45-60-61
• TSCA Listed: false
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H372-H400
• GHS Precautionary statements: P273-P301 + P310-P305 + P351 + P338-P314
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2788 6.1/PG 3

Product Information

• Purity: 95%
• Linear Formula: C6H5C≡CSn[(CH2)3CH3]3

DETAILS

Sigma Aldrich - 340359

Packaging
10 g in glass bottle