tris(2H9)butyl(chloro)stannane

• ChemBase ID: 135048
• Molecular Formular: C12H27ClSn
• Molecular Mass: 325.49678
• Monoisotopic Mass: 326.08232254
• SMILES: CCCC[Sn](CCCC)(CCCC)Cl
• Canonical SMILES: CCCC[Sn](CCCC)(CCCC)Cl
• InChI: InChI=1S/3C4H9.ClH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1
• InChIKey: GCTFWCDSFPMHHS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(^2H₉)butyl(chloro)stannane
• IUPAC Traditional name: tris(^2H₉)butyl(chloro)stannane
• Synonyms: Tributyltin chloride-d27; 三丁基氯化锡-d27

Database IDs

• CAS Number: 1257647-76-9
• MDL Number: MFCD03428112
• PubChem SID: 162229323
• PubChem CID: 12228730

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5294
• LogD (pH = 7.4): 4.5294
• Log P: 4.5294
• Molar Refractivity: 65.014 cm^3
• Polarizability: 30.0281 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 171-173 °C/25 mmHg(lit.)
• Mass Shift: M+27

Safety Information

• 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
• RID/ADR: UN 2788 6.1/PG 3

Product Information

• Purity: 96% (CP)
• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 325.53 by atom % calculation
• Linear Formula: [CD3(CD2)3]3SnCl

DETAILS

Sigma Aldrich - 615633

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.