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2-Phenylhydroquinone - 97%, high purity , CAS No.1079-21-6
Basic Description
Synonyms
2-Phenyl-1,4-benzenediol | K3C | 2-Phenylhydroquinone | GPT41T80FJ | AC-26579 | BRN 1949429 | Biphenyl-2,5-diol | SCHEMBL68984 | O-Phenylhydroquinone | 2-PHENYL-1,4-HYDROQUINONE | AI3-19362 | D0584 | 1,4-dihydroxy-2-phenylbenzene | DTXSID7051553 | 1, phen
Specifications & Purity
≥97%
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenyls and derivatives
Alternative Parents
Hydroquinones 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Biphenyl - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
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
488181946
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488181946
IUPAC Name
2-phenylbenzene-1,4-diol
INCHI
InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H
InChIKey
XCZKKZXWDBOGPA-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O
Isomeric SMILES
C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O
WGK Germany
3
RTECS
DV4550000
Molecular Weight
186.21
Beilstein
1949429
Reaxy-Rn
1949429
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1949429&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light Sensitive;Air Sensitive;Moisture sensitive
Melt Point(°C)
98-100°C
Molecular Weight
186.210 g/mol
XLogP3
3.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
186.068 Da
Monoisotopic Mass
186.068 Da
Topological Polar Surface Area
40.500 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
175.000
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
1.
Tianwen Yan, Fei Yan, Shiyi Li, Ming Li, Yu Liu, Mengjie Zhang, Lin Jin, Lei Shang, Liu Liu, Yuhui Ao.
(2020)
Interfacial enhancement of CF/PEEK composites by modifying water-based PEEK-NH2 sizing agent.
COMPOSITES PART B-ENGINEERING,
199
(108258).
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