3,3,7,7-tetrakis(dimethylamino)-2,8-dimethyl-5,5-bis({[tris(dimethylamino)-λ5-phosphanylidene]amino})-2,4,6,8-tetraaza-3λ5,5,7λ5-triphosphanona-3,6-dien-5-ium fluoride

• ChemBase ID: 139194
• Molecular Formular: C24H72FN16P5
• Molecular Mass: 758.8028882
• Monoisotopic Mass: 758.47979775
• SMILES: CN(C)P(=N[P+](N=P(N(C)C)(N(C)C)N(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.[F-]
• Canonical SMILES: CN(P(=N[P+](N=P(N(C)C)(N(C)C)N(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C)C.[F-]
• InChI: InChI=1S/C24H72N16P5.FH/c1-29(2)42(30(3)4,31(5)6)25-41(26-43(32(7)8,33(9)10)34(11)12,27-44(35(13)14,36(15)16)37(17)18)28-45(38(19)20,39(21)22)40(23)24;/h1-24H3;1H/q+1;/p-1
• InChIKey: YZLHWBJVVXMBGF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,7,7-tetrakis(dimethylamino)-2,8-dimethyl-5,5-bis({[tris(dimethylamino)-λ^5-phosphanylidene]amino})-2,4,6,8-tetraaza-3λ^5,5,7λ^5-triphosphanona-3,6-dien-5-ium fluoride
• IUPAC Traditional name: 3,3,7,7-tetrakis(dimethylamino)-2,8-dimethyl-5,5-bis({[tris(dimethylamino)-λ^5-phosphanylidene]amino})-2,4,6,8-tetraaza-3λ^5,5,7λ^5-triphosphanona-3,6-dien-5-ium fluoride
• Synonyms: Phosphazenium fluoride P5-F; Tetrakis[tris(dimethylamino)phosphoranylidenamino]phosphonium fluoride solution; 四[三(二甲氨基)正膦亚基氨基]氟化磷 溶液

Database IDs

• CAS Number: 156206-56-3
• MDL Number: MFCD00799592
• PubChem SID: 162233442; 24888930
• PubChem CID: 11571339

CALCULATED PROPERTIES

• H Acceptors: 16
• H Donor: 0
• LogD (pH = 5.5): -3.499245
• LogD (pH = 7.4): -3.4992192
• Log P: -3.4992187
• Molar Refractivity: 213.1536 cm^3
• Polarizability: 82.070755 Å^3
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: -11 °C; 12.2 °F

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 45-46-11-34-48/23/24/25-65
• Safety Statements: 53-16-26-36/37/39-45-62
• GHS Pictograms: GHS02; GHS05; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H314-H340-H350-H372
• GHS Precautionary statements: P201-P210-P280-P301 + P310-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 2

Product Information

• Concentration: ~0.3 M in benzene
• Empirical Formula (Hill Notation): C24H72FN16P5

DETAILS

Sigma Aldrich - 87652

Other Notes
Extremely strong and lipophilic "naked" fluoride source which can be dried without decomposition1,2
Packaging
5 mL in glass bottle
Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases