dipentyl(phenyl)phosphane

• ChemBase ID: 295487
• Molecular Formular: C16H27P
• Molecular Mass: 250.359341
• Monoisotopic Mass: 250.18503749
• SMILES: CCCCCP(CCCCC)c1ccccc1
• Canonical SMILES: CCCCCP(c1ccccc1)CCCCC
• InChI: InChI=1S/C16H27P/c1-3-5-10-14-17(15-11-6-4-2)16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3
• InChIKey: QDZAKCWPRPKCBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dipentyl(phenyl)phosphane
• IUPAC Traditional name: dipentyl(phenyl)phosphane
• Synonyms: Di-n-pentylphenylphosphine; Di-n-pentylphenylphosphine; 二戊基苯基膦

Database IDs

• CAS Number: 71501-08-1
• EC Number: 275-541-0
• MDL Number: MFCD00015273
• PubChem SID: 180681018
• PubChem CID: 3085487

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.9358187
• LogD (pH = 7.4): 5.3496094
• Log P: 5.3806
• Molar Refractivity: 78.8201 cm^3
• Polarizability: 31.53885 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 209-211°C/50mm

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P501A

Product Information

• Purity: 97%