chlorotrioctylstannane

• ChemBase ID: 156511
• Molecular Formular: C24H51ClSn
• Molecular Mass: 493.81574
• Monoisotopic Mass: 494.27012331
• SMILES: CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)Cl
• Canonical SMILES: CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)Cl
• InChI: InChI=1S/3C8H17.ClH.Sn/c3*1-3-5-7-8-6-4-2;;/h3*1,3-8H2,2H3;1H;/q;;;;+1/p-1
• InChIKey: MCNGJXAXOJDJKO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorotrioctylstannane
• IUPAC Traditional name: stannane, chlorotrioctyl-
• Synonyms: Trioctyltin chloride; 三辛基氯化锡

Database IDs

• CAS Number: 2587-76-0
• EC Number: 219-969-8
• MDL Number: MFCD00043327
• Beilstein Number: 4133182
• PubChem SID: 24889740; 162250648
• PubChem CID: 75757

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.285
• LogD (pH = 7.4): 9.285
• Log P: 9.285
• Molar Refractivity: 120.226 cm^3
• Polarizability: 52.008247 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 100 °C; 212 °F
• Density: 1.04 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.478

Safety Information

• RTECS: WH6855000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38-53
• Safety Statements: 61
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H413
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Grade: Selectophore™
• Quality: in vial
• Linear Formula: [CH3(CH2)7]3SnCl

DETAILS

Sigma Aldrich - 92851

General description
Visit our Sensor Applications portal to learn more.
Other Notes
Chloride ionophore used in an optical sensor membrane1
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH