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4-Benzoylbiphenyl - 99%, high purity , CAS No.2128-93-0
Basic Description
Synonyms
NSC55283 | NSC-55283 | FT-0619397 | LYXOWKPVTCPORE-UHFFFAOYSA- | PS-7380 | 4-Diphenylphenyl ketone | biphenyl-4-yl(phenyl)methanone | Methanone, (1,1'-biphenyl)-4-ylphenyl- | Phenyl p-biphenylyl ketone | 4-Diphenyl phenyl ketone | CCG-46778 | DTXSID302928
Specifications & Purity
≥99%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzophenones
Intermediate Tree Nodes
Not available
Direct Parent
Benzophenones
Alternative Parents
Diphenylmethanes Aryl-phenylketones Biphenyls and derivatives Benzoyl derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzophenone - Aryl-phenylketone - Diphenylmethane - Biphenyl - Aryl ketone - Benzoyl - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
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.
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
488185018
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488185018
IUPAC Name
phenyl-(4-phenylphenyl)methanone
INCHI
InChI=1S/C19H14O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
InChIKey
LYXOWKPVTCPORE-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
Isomeric SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
WGK Germany
3
RTECS
PC4936800
Molecular Weight
258.31
Beilstein
7521
Reaxy-Rn
1876092
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1876092&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
245℃/9 mmHg
Melt Point(°C)
100-104℃
Molecular Weight
258.300 g/mol
XLogP3
4.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
3
Exact Mass
258.104 Da
Monoisotopic Mass
258.104 Da
Topological Polar Surface Area
17.100 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
302.000
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
Citations of This Product
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