hexafluoro-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinine

• ChemBase ID: 138123
• Molecular Formular: F6N3P3
• Molecular Mass: 248.9318022
• Monoisotopic Mass: 248.92092623
• SMILES: N1=P(N=P(N=P1(F)F)(F)F)(F)F
• Canonical SMILES: FP1(=NP(=NP(=N1)(F)F)(F)F)F
• InChI: InChI=1S/F6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10
• InChIKey: DKQPXAWBVGCNHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexafluoro-1,3,5,2λ^5,4λ^5,6λ^5-triazatriphosphinine
• IUPAC Traditional name: hexafluoro-1,3,5,2λ^5,4λ^5,6λ^5-triazatriphosphinine
• Synonyms: 1,3,5-Triaza-2,4,6-triphosphorin-2,2,4,4,6,6-hexafluoride; Hexafluorocyclotriphosphazene; Phosphonitrilic fluoride trimer; 二氧磷基腈氟化三聚体

Database IDs

• CAS Number: 15599-91-4
• MDL Number: MFCD00192400
• PubChem SID: 24864919; 162232381
• PubChem CID: 139958

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.44516754
• LogD (pH = 7.4): 0.44516754
• Log P: 0.44516754
• Molar Refractivity: 39.696 cm^3
• Polarizability: 12.193606 Å^3
• Polar Surface Area: 37.08 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 25-30 °C(lit.)
• Boiling Point: 50.9 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3260
• German water hazard class: 3
• 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
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3260 8/PG 2

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): F6N3P3