({[bis(dimethylamino)phosphoryl]imino}bis(dimethylamino)-λ5-phosphanyl)dimethylamine

• ChemBase ID: 138329
• Molecular Formular: C10H30N6OP2
• Molecular Mass: 312.332322
• Monoisotopic Mass: 312.19563287
• SMILES: CN(C)P(=NP(=O)(N(C)C)N(C)C)(N(C)C)N(C)C
• Canonical SMILES: CN(P(=O)(N(C)C)N=P(N(C)C)(N(C)C)N(C)C)C
• InChI: InChI=1S/C10H30N6OP2/c1-12(2)18(13(3)4,14(5)6)11-19(17,15(7)8)16(9)10/h1-10H3
• InChIKey: RVZIHXHEDQCEED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({[bis(dimethylamino)phosphoryl]imino}bis(dimethylamino)-λ^5-phosphanyl)dimethylamine
• IUPAC Traditional name: {[(didimethylaminophosphoryl)imino]bis(dimethylamino)-λ^5-phosphanyl}dimethylamine
• Synonyms: PDPO; 1,1,3,3,3-Pentakis(dimethylamino)-1λ5,3λ5-diphosphazene 1-oxide; 1,1,3,3,3-五(二甲氨基)-1λ5,3λ5-二磷腈1-氧化物

Database IDs

• CAS Number: 91241-12-2
• MDL Number: MFCD00192491
• Beilstein Number: 1886624
• PubChem SID: 24866333; 162232585
• PubChem CID: 4166265

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.8308046
• LogD (pH = 7.4): -2.6837769
• Log P: -2.6732478
• Molar Refractivity: 84.4403 cm^3
• Polarizability: 33.234867 Å^3
• Polar Surface Area: 45.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 348 °C(lit.)
• Flash Point: 210.2 °F; 99 °C
• Density: 1.07 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.495(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3267
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34-37
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3267 8/PG 2

Product Information

• Purity: 98%
• Linear Formula: [(CH3)2N]3P=NP(O)[N(CH3)2]2

DETAILS

Sigma Aldrich - 420379

Packaging
1 g in glass bottle
Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases