2,3-N',3-N',3-N,3-N,7-N',7-N',7-N,7-N,8-decamethyl-5-[(2,4,4-trimethylpentan-2-yl)imino]-5-N-[tris(dimethylamino)-λ5-phosphanylidene]-2,4,6,8-tetraaza-3λ5,5λ5,7λ5-triphosphanona-3,6-diene-3,3,5,7,7-pentamine

• ChemBase ID: 152654
• Molecular Formular: C26H71N13P4
• Molecular Mass: 689.824084
• Monoisotopic Mass: 689.49058586
• SMILES: CC(C)(C)CC(C)(C)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
• Canonical SMILES: CN(P(=NP(=NC(CC(C)(C)C)(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
• InChI: InChI=1S/C26H71N13P4/c1-25(2,3)24-26(4,5)27-40(28-41(31(6)7,32(8)9)33(10)11,29-42(34(12)13,35(14)15)36(16)17)30-43(37(18)19,38(20)21)39(22)23/h24H2,1-23H3
• InChIKey: HGZNCRLCTDLORC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-N',3-N',3-N,3-N,7-N',7-N',7-N,7-N,8-decamethyl-5-[(2,4,4-trimethylpentan-2-yl)imino]-5-N-[tris(dimethylamino)-λ^5-phosphanylidene]-2,4,6,8-tetraaza-3λ^5,5λ^5,7λ^5-triphosphanona-3,6-diene-3,3,5,7,7-pentamine
• IUPAC Traditional name: 2,3-N',3-N',3-N,3-N,7-N',7-N',7-N,7-N,8-decamethyl-5-[(2,4,4-trimethylpentan-2-yl)imino]-5-N-[tris(dimethylamino)-λ^5-phosphanylidene]-2,4,6,8-tetraaza-3λ^5,5λ^5,7λ^5-triphosphanona-3,6-diene-3,3,5,7,7-pentamine
• Synonyms: 1-tert-Octyl-4,4,4-tris(dimethylamino)-2,2-bis[tris(dimethylamino)phosphoranylidenamino]-2λ5,4λ5-catenadi(phosphazene); Phosphazene base P4-t-Oct solution; 1-叔辛基-4,4,4-三(二甲氨基)-2,2-二[三(二甲氨基)正膦亚基氨基]-2Λ5,4Λ5-连二(磷氮基化合物); 磷腈配体 P4-叔辛基 溶液

Database IDs

• CAS Number: 153136-05-1
• MDL Number: MFCD00145115
• Beilstein Number: 6641377
• PubChem SID: 162246798; 24887458
• PubChem CID: 3582573

CALCULATED PROPERTIES

• H Acceptors: 13
• H Donor: 0
• LogD (pH = 5.5): -1.7450926
• LogD (pH = 7.4): -1.7450392
• Log P: -1.7450385
• Molar Refractivity: 201.595 cm^3
• Polarizability: 78.084465 Å^3
• Polar Surface Area: 78.6 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: -14.8 °F; -26 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-34-48/20-51/53-62-65-67
• Safety Statements: 16-26-36/37/39-45-61-62
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H314-H336-H361f-H373-H411
• GHS Precautionary statements: P210-P261-P273-P280-P301 + P310-P305 + P351 + P338
• 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: 1.00 M±0.05 M in hexane
• Empirical Formula (Hill Notation): C26H71N13P4

DETAILS

Sigma Aldrich - 79422

Other Notes
Extremely strong and hindered, neutral nitrogen base. It is about 1017 times more basic than DBU [pKa (DMSO) 29.43]1,2
Packaging
1 mL in glass bottle
Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases