tributylstannylium bromide

• ChemBase ID: 303860
• Molecular Formular: C12H27BrSn
• Molecular Mass: 369.94778
• Monoisotopic Mass: 370.03180686
• SMILES: CCCC[Sn+](CCCC)CCCC.[Br-]
• Canonical SMILES: CCCC[Sn+](CCCC)CCCC.[Br-]
• InChI: InChI=1S/3C4H9.BrH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1
• InChIKey: FVRKTAOFDKFAMI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tributylstannylium bromide
• IUPAC Traditional name: tributylstannylium bromide
• Synonyms: Bromotributyltin; Tri-n-butyltin bromide; 三正丁基溴化锡

Database IDs

• CAS Number: 1461-23-0
• EC Number: 215-959-2
• MDL Number: MFCD00010660

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5287
• LogD (pH = 7.4): 3.5287
• Log P: 3.5287
• Molar Refractivity: 58.4157 cm^3
• Polarizability: 27.806976 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 163°C/12mm
• Flash Point: >110°C(230°F)
• Density: 1.338
• Refractive Index: 1.5070

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: WH6735000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN2788
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 35-36/37/39-45-60-61
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H301-H312-H315-H319-H372-H400-H410
• GHS Precautionary statements: P260-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%