tributyl(4-fluorophenyl)stannane

• ChemBase ID: 100612
• Molecular Formular: C18H31FSn
• Molecular Mass: 385.1381432
• Monoisotopic Mass: 386.14317321
• SMILES: Fc1ccc(cc1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(cc1)F)(CCCC)CCCC
• InChI: InChI=1S/C6H4F.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h2-5H;3*1,3-4H2,2H3
• InChIKey: FLPKMHDTSOPPOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(4-fluorophenyl)stannane
• IUPAC Traditional name: tributyl(4-fluorophenyl)stannane
• Synonyms: (4-Fluorophenyl)tributylstannane; 1-Fluoro-4-(tributylstannyl)benzene 95+%; tributyl(4-fluorophenyl)stannane

Database IDs

• CAS Number: 17151-47-2
• MDL Number: MFCD01313817
• PubChem SID: 162087853
• PubChem CID: 2737524

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.2704
• LogD (pH = 7.4): 5.2704
• Log P: 5.2704
• Molar Refractivity: 84.1064 cm^3
• Polarizability: 37.42381 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 132-134°C/0.1mm

Safety Information

• Storage Warning: Toxic

Product Information

• Purity: 95%