tetrafluoroboranuide; trimethylphosphanium

• ChemBase ID: 143602
• Molecular Formular: C3H9BF4P
• Molecular Mass: 162.8819338
• Monoisotopic Mass: 163.0471052
• SMILES: [B-](F)(F)(F)F.C[P+](C)C
• Canonical SMILES: F[B-](F)(F)F.C[P+](C)C
• InChI: InChI=1S/C3H9P.BF4/c1-4(2)3;2-1(3,4)5/h1-3H3;/q;-1/p+1
• InChIKey: STGWVMOSDQDHFH-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluoroboranuide; trimethylphosphanium
• IUPAC Traditional name: trimethylphosphanium tetrafluoroborate
• Synonyms: Trimethylphosphonium tetrafluoroborate

Database IDs

• CAS Number: 154358-50-6
• MDL Number: MFCD03840581
• PubChem SID: 162237820
• PubChem CID: 11557338

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.13
• LogD (pH = 7.4): -1.13
• Log P: -1.13
• Molar Refractivity: 6.0052 cm^3
• Polarizability: 3.1085358 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209-212 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• RID/ADR: UN 3261 8/PG 2

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C3H10BF4P

DETAILS

Sigma Aldrich - 710946

Packaging
1 g in glass bottle