chlorotriethylstannane

• ChemBase ID: 111657
• Molecular Formular: C6H15ClSn
• Molecular Mass: 241.3373
• Monoisotopic Mass: 241.98842216
• SMILES: CC[Sn](Cl)(CC)CC
• Canonical SMILES: CC[Sn](CC)(CC)Cl
• InChI: InChI=1S/3C2H5.ClH.Sn/c3*1-2;;/h3*1H2,2H3;1H;/q;;;;+1/p-1
• InChIKey: PIMYDFDXAUVLON-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorotriethylstannane
• IUPAC Traditional name: stannane, chlorotriethyl-
• Synonyms: TRIETHYLTIN CHLORIDE

Database IDs

• CAS Number: 994-31-0
• EC Number: 231-141-8
• PubChem SID: 162089628
• PubChem CID: 13820

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9347
• LogD (pH = 7.4): 1.9347
• Log P: 1.9347
• Molar Refractivity: 37.639 cm^3
• Polarizability: 19.152287 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 15.5°C
• Boiling Point: 206°C
• Density: 1.429 g/ml

Safety Information

• RTECS: WH6840000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39

DETAILS

MP Biomedicals - 05220269

MP Biomedicals Rare Chemical collection