3,3,5,5-tetrakis(dimethylamino)-2,6-dimethyl-2,4,6-triaza-3λ5,5λ5-diphosphahepta-3,4-dien-4-ium; tetrafluoroboranuide

• ChemBase ID: 148661
• Molecular Formular: C12H36BF4N7P2
• Molecular Mass: 427.2132748
• Monoisotopic Mass: 427.25366073
• SMILES: [B-](F)(F)(F)F.CN(C)P(=[N+]=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
• Canonical SMILES: F[B-](F)(F)F.CN(P(=[N+]=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C)C
• InChI: InChI=1S/C12H36N7P2.BF4/c1-14(2)20(15(3)4,16(5)6)13-21(17(7)8,18(9)10)19(11)12;2-1(3,4)5/h1-12H3;/q+1;-1
• InChIKey: DPIDWCQJGWFENO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,5,5-tetrakis(dimethylamino)-2,6-dimethyl-2,4,6-triaza-3λ^5,5λ^5-diphosphahepta-3,4-dien-4-ium; tetrafluoroboranuide
• IUPAC Traditional name: 3,3,5,5-tetrakis(dimethylamino)-2,6-dimethyl-2,4,6-triaza-3λ^5,5λ^5-diphosphahepta-3,4-dien-4-ium tetrafluoroborate
• Synonyms: 1,1,1,3,3,3-Hexakis(dimethylamino)diphosphazenium tetrafluoroborate; Bis[tris(dimethylamino)phosphoranylidene]ammonium tetrafluoroborate; Phosphazenium tetrafluoroborate P2-BF4; 双[三(二甲氨基)正膦亚基]四氟硼酸铵; 磷腈四氟硼酸盐 P2-BF4; 1,1,1,3,3,3-六(二甲氨基)二磷腈四氟硼酸盐

Database IDs

• CAS Number: 137334-98-6
• MDL Number: MFCD00216714
• Beilstein Number: 5470923
• PubChem SID: 24874514; 162242836
• PubChem CID: 11811992

CALCULATED PROPERTIES

• LogD (pH = 5.5): -2.198119
• LogD (pH = 7.4): -2.198119
• Log P: -2.198119
• Molar Refractivity: 99.105 cm^3
• Polarizability: 39.008163 Å^3
• Polar Surface Area: 19.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 6
• H Donor: 0

PROPERTIES

Physical Property

• Melting Point: ≥260 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-34
• Safety Statements: 26-27-36/37/39-45
• 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 3261 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥98.0% (T)
• Linear Formula: [[(CH3)2N]3P=]2N(BF4)

DETAILS

Sigma Aldrich - 447730

Application
用作相转移催化剂。1
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases
包装
1 g in glass bottle

Sigma Aldrich - 52586

Other Notes
Phase transfer catalyst directing enolate alkylation towards O-substitution1; Starting material for preparing the corresponding fluoride, an extremely reactive naked fluoride, with KF2
Packaging
5 g in poly bottle
Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases