2,3-N',3-N',3-N,3-N,5-N',5-N',5-N,5-N,7,7-undecamethyl-2,4,6-triaza-3λ5,5λ5-diphosphaocta-3,5-diene-3,3,5,5-tetramine

• ChemBase ID: 152681
• Molecular Formular: C14H39N7P2
• Molecular Mass: 367.453882
• Monoisotopic Mass: 367.27421754
• SMILES: CC(C)(C)N=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
• Canonical SMILES: CN(P(=NC(C)(C)C)(N(C)C)N=P(N(C)C)(N(C)C)N(C)C)C
• InChI: InChI=1S/C14H39N7P2/c1-14(2,3)15-22(17(4)5,18(6)7)16-23(19(8)9,20(10)11)21(12)13/h1-13H3
• InChIKey: CJTQESMNKMUZAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-N',3-N',3-N,3-N,5-N',5-N',5-N,5-N,7,7-undecamethyl-2,4,6-triaza-3λ^5,5λ^5-diphosphaocta-3,5-diene-3,3,5,5-tetramine
• IUPAC Traditional name: 2,3-N',3-N',3-N,3-N,5-N',5-N',5-N,5-N,7,7-undecamethyl-2,4,6-triaza-3λ^5,5λ^5-diphosphaocta-3,5-diene-3,3,5,5-tetramine
• Synonyms: 1-tert-Butyl-2,2,4,4,4-pentakis(dimethylamino)-2λ5,4λ5-catenadi(phosphazene); Phosphazene base P2-t-Bu solution; 1-叔丁基-2,2,4,4,4-五(二甲氨基)-2Λ5,4Λ5-连二(磷氮基化合物); 磷腈配体 P2-叔丁基 溶液

Database IDs

• CAS Number: 111324-03-9
• MDL Number: MFCD01863108
• Beilstein Number: 5759205
• PubChem SID: 24887454; 162246824
• PubChem CID: 4275357

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -2.1953344
• LogD (pH = 7.4): -1.2253866
• Log P: -1.1746507
• Molar Refractivity: 107.4139 cm^3
• Polarizability: 42.01219 Å^3
• Polar Surface Area: 40.92 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 1
• Risk Statements: 11-19-34-37
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H335
• GHS Precautionary statements: P210-P261-P280-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 2920 8/PG 1
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: ~2.0 M in THF
• Empirical Formula (Hill Notation): C14H39N7P2

DETAILS

Sigma Aldrich - 79416

Other Notes
Extremely strong and hindered neutral nitrogen base; it is about 109 times more basic than DBU [pKa (DMSO) 21.45]. Stable to hydrolysis and unaffected by alkylating agents1; Highly selective base2; Deprotonation of phosphines3
Packaging
1, 5, 25 mL in glass bottle
Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases