tributyl(4-chlorophenyl)stannane

• ChemBase ID: 89609
• Molecular Formular: C18H31ClSn
• Molecular Mass: 401.59274
• Monoisotopic Mass: 402.11362267
• SMILES: [Sn](c1ccc(cc1)Cl)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(cc1)Cl)(CCCC)CCCC
• InChI: InChI=1S/C6H4Cl.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h2-5H;3*1,3-4H2,2H3
• InChIKey: GZJNLVYEAQGOSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(4-chlorophenyl)stannane
• IUPAC Traditional name: tributyl(4-chlorophenyl)stannane
• Synonyms: Tributyl(4-chlorophenyl)stannane; Tributyl(4-chloro)phenylstannane; (4-Chlorophenyl)tributylstannane; 1-Chloro-4-(tributylstannyl)benzene; 三丁基(4-氯苯基)锡烷; 三丁基(4-氯代)苯基锡烷

Database IDs

• CAS Number: 17151-48-3
• MDL Number: MFCD01114694
• PubChem SID: 162076476
• PubChem CID: 11112179

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.6489
• LogD (pH = 7.4): 5.6489
• Log P: 5.6489
• Molar Refractivity: 88.6948 cm^3
• Polarizability: 39.610283 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 140°C/4mm
• Flash Point: >110 °C; >110°C; >230 °F
• Density: 1.169; 1.169 g/mL at 25 °C
• Refractive Index: 1.5233; n20/D 1.522

Safety Information

• Storage Warning: Toxic
• UN Number: 2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• RID/ADR: UN 2788 6.1/PG 3

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C18H31ClSn

DETAILS

Sigma Aldrich - 721158

Packaging
1, 5 g in glass bottle