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Triphenylphosphine oxide

CAT: 0862-GK8650-25gSize: 25 gDry Ice: NoHazardous: No
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CAT#:0862-GK8650-25gSize:25 g
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CAS Number
791-28-6
EC Number
212-338-8
MDL Number
MFCD00002080
HS Code
29314990
Purity
99.00%
Molecular Formula
C18H15OP
Molecular Weight
278.29
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

Triphenylphosphine Oxide

Triphenylphosphane oxide is a phosphine oxide in which the substituents on phosphorus are three phenyl groups.

CAS Number791-28-6
PubChem CID13097
IUPAC Namediphenylphosphorylbenzene
Molecular FormulaC18H15OP
Molecular Weight278.3
XLogP2.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity281
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3
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
Chemical Structure
2D Structure
2D structure of Triphenylphosphine Oxide
CAS: 791-28-6
CID: 13097
Formula: C18H15OP
MW: 278.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.3
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass278.086052095
Monoisotopic Mass278.086052095
Topological Polar Surface Area17.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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