1-[bis(2H5)phenylphosphoroso](2H5)benzene

• ChemBase ID: 135051
• Molecular Formular: C18H15OP
• Molecular Mass: 278.284861
• Monoisotopic Mass: 278.08605173
• SMILES: c1ccc(cc1)P(=O)(c1ccccc1)c1ccccc1
• Canonical SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
• InChIKey: FIQMHBFVRAXMOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[bis(^2H₅)phenylphosphoroso](^2H₅)benzene
• IUPAC Traditional name: 1-[bis(^2H₅)phenylphosphoroso](^2H₅)benzene
• Synonyms: Triphenyl-d15-phosphine oxide; 三苯基-d15-氧化膦

Database IDs

• CAS Number: 54964-93-1
• MDL Number: MFCD04118295
• PubChem SID: 162229326
• PubChem CID: 71309051

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.7552
• LogD (pH = 7.4): 4.7552
• Log P: 4.7552
• Molar Refractivity: 83.0658 cm^3
• Polarizability: 33.047546 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150-157 °C
• Flash Point: 180 °C; 356 °F
• Mass Shift: M+15

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 293.08 by atom % calculation
• Linear Formula: (C6D5)3PO

DETAILS

Sigma Aldrich - 617008

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.