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Diphenyl Phenylphosphonate - 98%, high purity , CAS No.3049-24-9
Basic Description
Synonyms
BRN 2944518 | NSC25435 | NSC-25435 | Benzenephosphonic acid, diphenyl ester | MFCD00216888 | [phenoxy(phenyl)phosphoryl]oxybenzene | AKOS005446466 | Bucladin-S | diphenylphenylphosphonate | HMS2774L09 | Triphenyl phosphonate | EINECS 221-261-9 | Benzoic a
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxy compounds
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxy compounds
Alternative Parents
Phosphonic acid diesters Phosphonic acid esters Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Phosphonic acid diester - Phosphonic acid ester - Organophosphonic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488185268
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488185268
IUPAC Name
[phenoxy(phenyl)phosphoryl]oxybenzene
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
InChIKey
CDOMXXVCZQOOMT-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)OP(=O)(C2=CC=CC=C2)OC3=CC=CC=C3
Isomeric SMILES
C1=CC=C(C=C1)OP(=O)(C2=CC=CC=C2)OC3=CC=CC=C3
Molecular Weight
310.29
Reaxy-Rn
2944518
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2944518&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
165 °C/0.4 mmHg
Melt Point(°C)
72.0 - 76.0 °C
Molecular Weight
310.300 g/mol
XLogP3
4.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
310.076 Da
Monoisotopic Mass
310.076 Da
Topological Polar Surface Area
35.500 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
343.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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