tributyl(prop-1-yn-1-yl)stannane

• ChemBase ID: 64491
• Molecular Formular: C15H30Sn
• Molecular Mass: 329.0997
• Monoisotopic Mass: 330.13694496
• SMILES: C(#CC)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](C#CC)(CCCC)CCCC
• InChI: InChI=1S/3C4H9.C3H3.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;1H3
• InChIKey: KCQJLTOSSVXOCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(prop-1-yn-1-yl)stannane
• IUPAC Traditional name: tributyl(prop-1-yn-1-yl)stannane
• Synonyms: Tributyl(1-propynyl)tin; 1-Propynyltri-n-butyltin; Tributyl(1-propynyl)tin; 三丁基丙炔锡烷; 1-丙炔-三-正-丁基锡

Database IDs

• CAS Number: 64099-82-7
• EC Number: 000-000-0
• MDL Number: MFCD01863650
• PubChem SID: 162030230; 24873307
• PubChem CID: 2733165

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.3783
• LogD (pH = 7.4): 7.3783
• Log P: 7.3783
• Molar Refractivity: 70.8995 cm^3
• Polarizability: 32.571445 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 277 °C(lit.); 277°C
• Flash Point: >110 °C; >110°C(230°F); >230 °F
• Density: 1.082; 1.082 g/mL at 25 °C(lit.)
• Refractive Index: 1.4830; n20/D 1.483(lit.)

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2788; UN2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; II
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 26-36/37-45-57; 35-36/37/39-45-60-61
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H311-H315-H319-H372-H400-H410; H301-H312-H315-H319-H372-H410
• GHS Precautionary statements: P260-P301+P310-P305+P351+P338-P361-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: 95%; 96%
• Linear Formula: [CH3(CH2)3]3SnC≡CCH3

DETAILS

Sigma Aldrich - 499862

Packaging
1, 5 g in glass bottle