1-[2-(diphenylphosphanyl)naphthalen-1-yl]naphthalen-2-ol

• ChemBase ID: 296383
• Molecular Formular: C32H23OP
• Molecular Mass: 454.498181
• Monoisotopic Mass: 454.14865199
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccc2ccccc2c1c1c2ccccc2ccc1O
• Canonical SMILES: Oc1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccccc1)c1ccccc1)cccc2
• InChI: InChI=1S/C32H23OP/c33-29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)34(25-13-3-1-4-14-25)26-15-5-2-6-16-26/h1-22,33H
• InChIKey: LWZAKMZAVUALLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(diphenylphosphanyl)naphthalen-1-yl]naphthalen-2-ol
• IUPAC Traditional name: 1-[2-(diphenylphosphanyl)naphthalen-1-yl]naphthalen-2-ol
• Synonyms: (R)-(+)-2-Diphenylphosphino-2'-hydroxy-1,1'-binaphthyl; (R)-(+)-2'-Diphenylphosphino-1,1'-binaphth-2-ol; (R)-(+)-2'-二苯基膦-1,1'-联萘-2-醇

Database IDs

• CAS Number: 149917-88-4
• MDL Number: MFCD01166485
• PubChem SID: 180681914
• PubChem CID: 3736671

CALCULATED PROPERTIES

• Acid pKa: 9.404379
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 8.510946
• LogD (pH = 7.4): 8.506733
• Log P: 8.511
• Molar Refractivity: 141.6404 cm^3
• Polarizability: 59.243793 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• 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: 96%