tetrabutylstibanium bromide

• ChemBase ID: 137894
• Molecular Formular: C16H36BrSb
• Molecular Mass: 430.12104
• Monoisotopic Mass: 428.10385315
• SMILES: CCCC[Sb+](CCCC)(CCCC)CCCC.[Br-]
• Canonical SMILES: CCCC[Sb+](CCCC)(CCCC)CCCC.[Br-]
• InChI: InChI=1S/4C4H9.BrH.Sb/c4*1-3-4-2;;/h4*1,3-4H2,2H3;1H;/q;;;;;+1/p-1
• InChIKey: JVFNASPYONXEIE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutylstibanium bromide
• IUPAC Traditional name: tetrabutylstibanium bromide
• Synonyms: Tetrabutylantimony(V) bromide; 四丁基溴化锑

Database IDs

• CAS Number: 45212-19-9
• MDL Number: MFCD02093776
• PubChem SID: 24874393; 162232155
• PubChem CID: 71310086

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.3772
• LogD (pH = 7.4): 5.3772
• Log P: 5.3772
• Molar Refractivity: 77.8876 cm^3
• Polarizability: 35.56145 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 110 °C; 230 °F
• Density: 1.34 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.533(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 20/22-51/53
• Safety Statements: 61
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 97%
• Linear Formula: [CH3(CH2)3]4SbBr