tetrabutylphosphanium iodide

• ChemBase ID: 295419
• Molecular Formular: C16H36IP
• Molecular Mass: 386.335271
• Monoisotopic Mass: 386.15993578
• SMILES: CCCC[P+](CCCC)(CCCC)CCCC.[I-]
• Canonical SMILES: CCCC[P+](CCCC)(CCCC)CCCC.[I-]
• InChI: InChI=1S/C16H36P.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
• InChIKey: CCIYPTIBRAUPLQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutylphosphanium iodide
• IUPAC Traditional name: tetrabutylphosphonium iodide
• Synonyms: Tetra-n-butylphosphonium iodide; 四正丁基碘化膦

Database IDs

• CAS Number: 3115-66-0
• MDL Number: MFCD00050246
• PubChem SID: 180680950
• PubChem CID: 201022

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: 98-100°C

Safety Information

• Storage Warning: Hygroscopic
• RTECS: TA2420000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%