dicaesium(1+) ion 1,2,3,4,5,6,7,8,10,11,12-undecafluoro-1,2,3,4,5,6,7,8,10,11,12-undecaborabicyclo[8.1.1]dodecane-1,10-diuide

• ChemBase ID: 143181
• Molecular Formular: CH2B11Cs2F11
• Molecular Mass: 607.7409152
• Monoisotopic Mass: 609.91134688
• SMILES: B1(B(B(B([B-]2(B([B-](B2F)(CB(B(B1F)F)F)F)F)F)F)F)F)F.[Cs+].[Cs+]
• Canonical SMILES: FB1C[B-]2(F)B(F)[B-](B2F)(F)B(B(B(B(B(B1F)F)F)F)F)F.[Cs+].[Cs+]
• InChI: InChI=1S/CH2B11F11.2Cs/c13-2-1-11(22)9(20)12(23,10(11)21)8(19)7(18)6(17)5(16)4(15)3(2)14;;/h1H2;;/q-2;2*+1
• InChIKey: VORBFFRCZXMLGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicaesium(1+) ion 1,2,3,4,5,6,7,8,10,11,12-undecafluoro-1,2,3,4,5,6,7,8,10,11,12-undecaborabicyclo[8.1.1]dodecane-1,10-diuide
• IUPAC Traditional name: dicaesium(1+) ion 1,2,3,4,5,6,7,8,10,11,12-undecafluoro-1,2,3,4,5,6,7,8,10,11,12-undecaborabicyclo[8.1.1]dodecane-1,10-diuide
• Synonyms: Cesium dodecafluorododecaborate; Cesium dodecafluoro-closo-dodecaborate; 十二氟十二硼酸铯; 十二氟-闭式-十二硼酸铯

Database IDs

• PubChem SID: 162237402
• PubChem CID: 71310891

CALCULATED PROPERTIES

• Acid pKa: 18.981615
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7804
• LogD (pH = 7.4): 3.7804
• Log P: 3.7804
• Molar Refractivity: 21.101 cm^3
• Polarizability: 21.428967 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >600 °C (dec.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): B12Cs2F12

DETAILS

Sigma Aldrich - 723509

Packaging
100 mg in glass bottle