tris(2H5)phenylphosphane

• ChemBase ID: 136016
• Molecular Formular: C18H15P
• Molecular Mass: 262.285461
• Monoisotopic Mass: 262.09113711
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
• InChIKey: RIOQSEWOXXDEQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(^2H₅)phenylphosphane
• IUPAC Traditional name: tris(^2H₅)phenylphosphane
• Synonyms: Triphenylphosphine-d15; 三苯基膦-d15

Database IDs

• CAS Number: 24762-44-5
• MDL Number: MFCD00075150
• PubChem SID: 162230287; 24860572
• PubChem CID: 11033167

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• Molar Refractivity: 81.6229 cm^3
• Polarizability: 32.415314 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 79-81 °C(lit.)
• Boiling Point: 377 °C
• Flash Point: 220 °C; 428 °F
• Mass Shift: M+15

Safety Information

• European Hazard Symbols: Nature polluting (N)
• German water hazard class: 2
• Risk Statements: 50/53
• Safety Statements: 60-61
• GHS Pictograms: GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H410
• GHS Precautionary statements: P273-P501

Product Information

• Isotopic Purity: 98 atom % D; 99 atom % D
• Mol. Weight: mol wt 277.08 by atom % calculation
• Linear Formula: (C6D5)3P

DETAILS

Sigma Aldrich - 616990

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.

Sigma Aldrich - 338761

Packaging
1 g in glass bottle
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.
Application
Employed in a mechanistic study of cis-bis(silylmethyl)platinum(II) complexes.1