tetrabutylphosphanium nitrate

• ChemBase ID: 156802
• Molecular Formular: C16H36NO3P
• Molecular Mass: 321.435701
• Monoisotopic Mass: 321.24328065
• SMILES: CCCC[P+](CCCC)(CCCC)CCCC.[N+](=O)([O-])[O-]
• Canonical SMILES: [O-][N+](=O)[O-].CCCC[P+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/C16H36P.NO3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3)4/h5-16H2,1-4H3;/q+1;-1
• InChIKey: KUBXSUKJFAQDPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutylphosphanium nitrate
• IUPAC Traditional name: tetrabutylphosphonium nitrate
• Synonyms: Tetrabutylphosphonium nitrate; 四丁基硝酸磷

Database IDs

• CAS Number: 13262-37-8
• MDL Number: MFCD00210093
• PubChem SID: 162250939
• PubChem CID: 22114433

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5721793
• LogD (pH = 7.4): 5.5721793
• Log P: 5.5721793
• Molar Refractivity: 83.0876 cm^3
• Polarizability: 33.34857 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 70-73 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (T)
• Grade: purum
• Linear Formula: (CH3CH2CH2CH2)4P(NO3)

DETAILS

Sigma Aldrich - 86931

Application
Ionic liquid at ambient temperature