tributyl(thiophen-2-yl)stannane

• ChemBase ID: 82965
• Molecular Formular: C16H30SSn
• Molecular Mass: 373.1754
• Monoisotopic Mass: 374.10901596
• SMILES: s1c(ccc1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cccs1)(CCCC)CCCC
• InChI: InChI=1S/C4H3S.3C4H9.Sn/c1-2-4-5-3-1;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3
• InChIKey: UKTDFYOZPFNQOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(thiophen-2-yl)stannane
• IUPAC Traditional name: tributyl(thiophen-2-yl)stannane
• Synonyms: 2-(Tributylstannyl)thiophene; tributyl(2-thienyl)stannane; Tributyl(thien-2-yl)tin; Tributyl(thien-2-yl)stannane; 2-(Tributylstannyl)thiophene; 2-三丁基甲锡烷基噻吩

Database IDs

• CAS Number: 54663-78-4
• MDL Number: MFCD00192513
• PubChem SID: 162070084; 24865938
• PubChem CID: 2779373

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7248
• LogD (pH = 7.4): 4.7248
• Log P: 4.7248
• Molar Refractivity: 80.1557 cm^3
• Polarizability: 36.410954 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 155 °C/0.1 mmHg(lit.)
• Flash Point: 105 °C; 221 °F
• Density: 1.175; 1.175 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.518(lit.)

Safety Information

• Storage Warning: Toxic/Harmful
• 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: 36/37/39-45-60-61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H315-H319-H372-H410
• GHS Precautionary statements: 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%; TECH
• Empirical Formula (Hill Notation): C16H30SSn

DETAILS

Sigma Aldrich - 414492

Packaging
10, 50, 250 mL in glass bottle