cycloheptylium; hexafluoro-λ5-phosphanuide

• ChemBase ID: 137493
• Molecular Formular: C7H13F6P
• Molecular Mass: 242.1423002
• Monoisotopic Mass: 242.06590637
• SMILES: C1CCC[CH+]CC1.F[P-](F)(F)(F)(F)F
• Canonical SMILES: C1CCCC[CH+]C1.F[P-](F)(F)(F)(F)F
• InChI: InChI=1S/C7H13.F6P/c1-2-4-6-7-5-3-1;1-7(2,3,4,5)6/h1H,2-7H2;/q+1;-1
• InChIKey: NXJUZCONIQFABU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cycloheptylium; hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: cycloheptylium hexafluorophosphate
• Synonyms: Tropylium hexafluorophosphate; 六氟磷酸卓鎓

Database IDs

• CAS Number: 29663-54-5
• EC Number: 249-761-2
• MDL Number: MFCD00013403
• PubChem SID: 24850090; 162231755
• PubChem CID: 45051651

CALCULATED PROPERTIES

• Polarizability: 12.814478 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.43187463
• LogD (pH = 7.4): -0.43187463
• Log P: -0.43187463
• Molar Refractivity: 30.9999 cm^3

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 20/21/22-34
• Safety Statements: 26-27-28-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H314-H332
• 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 3261 8/PG 2

Product Information

• Empirical Formula (Hill Notation): C7H7F6P