2-Phenylhydroquinone - ≥97% , CAS No.1079-21-6

CAS: 1079-21-6 Cat. No.: P102216 Formula: C₁₂H₁₀O₂ Molecular Weight: 186.21 Beilstein Registry Number: 1949429 EC Number: 214-091-1

GRADE & PURITY ≥97%

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

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

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

Room temperature,Argon charged

Shipped In

Normal

Action Type

ACTIVATOR

Purity

≥97%

Names and Identifiers

Pubchem Sid

488181946

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181946

Canonical Smiles

C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O

IUPAC Name

2-phenylbenzene-1,4-diol

InChIKey

XCZKKZXWDBOGPA-UHFFFAOYSA-N

INCHI

1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H

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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• 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.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

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