butyl(chloro)stannanediol

• ChemBase ID: 149838
• Molecular Formular: C4H11ClO2Sn
• Molecular Mass: 245.28294
• Monoisotopic Mass: 245.94695127
• SMILES: CCCC[Sn](O)(O)Cl
• Canonical SMILES: CCCC[Sn](Cl)(O)O
• InChI: InChI=1S/C4H9.ClH.2H2O.Sn/c1-3-4-2;;;;/h1,3-4H2,2H3;1H;2*1H2;/q;;;;+3/p-3
• InChIKey: FQYHHEJETOLDHR-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl(chloro)stannanediol
• IUPAC Traditional name: butyl(chloro)stannanediol
• Synonyms: Butylchlorodihydroxystannane; Butyltin chloride dihydroxide; 氯代单丁基锡酸; 二羟基丁基氯化锡

Database IDs

• CAS Number: 13355-96-9
• EC Number: 236-406-1
• MDL Number: MFCD00015822
• PubChem SID: 162244000; 24861119
• PubChem CID: 83368

CALCULATED PROPERTIES

• Acid pKa: 8.5493355
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5995854
• LogD (pH = 7.4): -1.6287849
• Log P: -1.5992
• Molar Refractivity: 30.5882 cm^3
• Polarizability: 17.06414 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 96%
• Linear Formula: CH3(CH2)3Sn(OH)2Cl

DETAILS

Sigma Aldrich - 344923

Packaging
100, 500 g in glass bottle