3,3,5,5-tetrakis(dimethylamino)-2,6-dimethyl-2,4,6-triaza-3λ5,5-diphosphahept-3-en-5-ium fluoride

• ChemBase ID: 156226
• Molecular Formular: C12H36FN7P2
• Molecular Mass: 359.4070652
• Monoisotopic Mass: 359.24914567
• SMILES: CN(C)P(=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(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C)C.[F-]
• InChI: InChI=1S/C12H36N7P2.FH/c1-14(2)20(15(3)4,16(5)6)13-21(17(7)8,18(9)10)19(11)12;/h1-12H3;1H/q+1;/p-1
• InChIKey: IRKKKQOVDCZGGC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,5,5-tetrakis(dimethylamino)-2,6-dimethyl-2,4,6-triaza-3λ^5,5-diphosphahept-3-en-5-ium fluoride
• IUPAC Traditional name: 3,3,5,5-tetrakis(dimethylamino)-2,6-dimethyl-2,4,6-triaza-3λ^5,5-diphosphahept-3-en-5-ium fluoride
• Synonyms: Bis[tris(dimethylamino)phosphoranylidene]ammonium fluoride; Phosphazenium fluoride P2-F; 1,1,1,3,3,3-Hexakis(dimethylamino)diphosphazenium fluoride solution; 双[三(二甲氨基)正膦亚基]氟化铵; 磷腈盐氟化物 P2-F; 1,1,1,3,3,3-六(二甲氨基)二磷腈盐氟化物 溶液

Database IDs

• CAS Number: 137334-99-7
• MDL Number: MFCD00799548
• PubChem SID: 162250364; 24874512
• PubChem CID: 10948366

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -2.3466077
• LogD (pH = 7.4): -2.345494
• Log P: -2.3454797
• Molar Refractivity: 99.105 cm^3
• Polarizability: 39.008163 Å^3
• Polar Surface Area: 31.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

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

• Purity: ≥95.0% (NT)
• Concentration: ~0.5 M in benzene
• Grade: purum
• Empirical Formula (Hill Notation): C12H36FN7P2

DETAILS

Sigma Aldrich - 52585

Other Notes
Extremely reactive, stable, anhydrous source of fluoride anion. It can be dried under drastic conditions1,2