aminotris(dimethylamino)phosphanium; tetrafluoroboranuide

• ChemBase ID: 134461
• Molecular Formular: C6H20BF4N4P
• Molecular Mass: 266.0281738
• Monoisotopic Mass: 266.14547657
• SMILES: [B-](F)(F)(F)F.CN(C)[P+](N)(N(C)C)N(C)C
• Canonical SMILES: F[B-](F)(F)F.CN([P+](N(C)C)(N(C)C)N)C
• InChI: InChI=1S/C6H20N4P.BF4/c1-8(2)11(7,9(3)4)10(5)6;2-1(3,4)5/h7H2,1-6H3;/q+1;-1
• InChIKey: SRBMXBQBEFNXDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: aminotris(dimethylamino)phosphanium; tetrafluoroboranuide
• IUPAC Traditional name: aminotris(dimethylamino)phosphanium tetrafluoroborate
• Synonyms: Tris(dimethylamino)iminophosphorane tetrafluoroborate salt; Iminotris(dimethylamino)phosphonium tetrafluoroborate salt; 三(二甲基氨基)亚氨基膦 四氟硼酸盐; 亚氨基三(二甲氨基)正膦 四氟硼酸盐

Database IDs

• CAS Number: 181470-75-7
• MDL Number: MFCD00270155
• PubChem SID: 162228737; 24880424
• PubChem CID: 18702419

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.126977
• LogD (pH = 7.4): -2.1266742
• Log P: -2.1266701
• Molar Refractivity: 52.4795 cm^3
• Polarizability: 20.974169 Å^3
• Polar Surface Area: 35.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95.0%
• Empirical Formula (Hill Notation): C6H19N4P · HBF4