Diphenyl phenylphosphonate
Product Information
Molecular Formula
C18H15O3P
Molecular Weight
310.283662
Description
Diphenyl phenylphosphonate is a highly influential chemical compound that finds indispensable utility within the biomedical industry. Employed extensively as a paramount reactant in organic synthesis and as a pivotal pharmaceutical intermediate, this multifunctional product undeniably assumes a critical stature in the realm of drug development for diverse afflictions encompassing cancer, inflammation, and neurological disorders.
Synonyms
Diphenylphenylphosphonate; Triphenylphosphonate; Diphenylbenzenephosphonate; MLS000738040; EINECS221-261-9; Benzenephosphonicacid,diphenylester
IUPAC Name
[phenoxy(phenyl)phosphoryl]oxybenzene
SMILES
C1=CC=C(C=C1)OP(=O)(C2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C18H15O3P/c19-22(18-14-8-3-9-15-18,20-16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-15H
InChI Key
CDOMXXVCZQOOMT-UHFFFAOYSA-N
Boiling Point
425.2°C at 760mmHg
Melting Point
75 °C
Purity
95%
Density
1.24g/cm3
Appearance
White to Light yellow powder to crystal
Computed Properties
XLogP3
4.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
310.07588133 g/mol
Monoisotopic Mass
310.07588133 g/mol
Topological Polar Surface Area
35.5Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
343
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
