bromotris(dimethylamino)phosphanium pentafluoro-λ5-phosphane fluoride

• ChemBase ID: 296293
• Molecular Formular: C6H18BrF6N3P2
• Molecular Mass: 388.0691612
• Monoisotopic Mass: 387.00635217
• SMILES: CN(C)[P+](N(C)C)(N(C)C)Br.[F-].FP(F)(F)(F)F
• Canonical SMILES: FP(F)(F)(F)F.CN([P+](N(C)C)(N(C)C)Br)C.[F-]
• InChI: InChI=1S/C6H18BrN3P.F5P.FH/c1-8(2)11(7,9(3)4)10(5)6;1-6(2,3,4)5;/h1-6H3;;1H/q+1;;/p-1
• InChIKey: IXMZIONZUPIASU-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromotris(dimethylamino)phosphanium pentafluoro-λ^5-phosphane fluoride
• IUPAC Traditional name: bromotris(dimethylamino)phosphanium phosphorus pentafluoride fluoride
• Synonyms: BroP; Bromotris(dimethylamino)phosphonium hexafluorophosphate; 溴代三(二甲基氨基)磷六氟磷酸盐

Database IDs

• CAS Number: 50296-37-2
• MDL Number: MFCD00191864
• PubChem SID: 180681824
• PubChem CID: 57416860

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.9179272
• LogD (pH = 7.4): -0.9179272
• Log P: -0.9179272
• Molar Refractivity: 55.9306 cm^3
• Polarizability: 22.209455 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300°C

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Toxic (T)
• UN Number: UN1759
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 45-34
• Safety Statements: 53-45
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS08
• GHS Hazard statements: H350-H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 98+%