2,2'-Dihydroxybiphenyl - ≥99% , CAS No.1806-29-7

CAS: 1806-29-7 Cat. No.: D106476 Molecular Weight: 186.21 Beilstein Registry Number: 1638363 EC Number: 217-303-0

GRADE & PURITY ≥99%

Synonyms

AM84630 | F0001-0654 | J-200141 | o-Dihydroxydiphenyl | UNII-PM2R53I3C9 | BCP13947 | EN300-171748 | Biphenyl-2,2'-diol | SY048537 | 2,2/'-Biphenol | A812554 | FT-0609156 | WLN: QR BR BQ | CCRIS 2980 | MFCD00002210 | Q27103998 | InChI=1/C12H10O2/c13-11-7-3

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

application：

2,2'-Dihydroxybiphenyl, is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Specifications

Synonyms

AM84630 | F0001-0654 | J-200141 | o-Dihydroxydiphenyl | UNII-PM2R53I3C9 | BCP13947 | EN300-171748 | Biphenyl-2, 2'-diol | SY048537 | 2, 2/'-Biphenol | A812554 | FT-0609156 | WLN: QR BR BQ | CCRIS 2980 | MFCD00002210 | Q27103998 | InChI=1/C12H10O2/c13-11-7-3

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504752702
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752702
• Canonical Smiles: C1=CC=C(C(=C1)C2=CC=CC=C2O)O
• IUPAC Name: 2-(2-hydroxyphenyl)phenol
• InChIKey: IMHDGJOMLMDPJN-UHFFFAOYSA-N
• INCHI: 1S/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H
• Isomeric SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2O)O
• WGK Germany: 2
• RTECS: DV4200000
• Molecular Weight: 186.21
• Beilstein: 1638363
• Reaxy-Rn: 1638363
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1638363&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: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - 1-hydroxy-4-unsubstituted benzenoid - 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: hydroxybiphenyls

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

Associated Targets(Human)

HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water, soluble in methanol.
• Sensitivity: Light & Air Sensitive.
• Flash Point(°F): 154℃
• Flash Point(°C): 154℃
• Boil Point(°C): 315°C
• Melt Point(°C): 108-111°C
• Molecular Weight: 186.210 g/mol
• XLogP3: 3.000
• 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: 161.000
• 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

References

1. Xinmeng Wang, Hao Sun, Yan Zhang, Yingxian Wang, Guoliang Chang, Shao-lu Li, Genghao Gong, Yunxia Hu.  (2023)  Constructing low-friction mass transfer channel in laminar graphene oxide membrane for efficient molecular separation with enhanced permeability.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.144119]

2. Mingjun Niu, Zhongzhou Zhang, Zizhen Wei, Wanjie Wang.  (2020)  Effect of a Novel Flame Retardant on the Mechanical, Thermal and Combustion Properties of Poly(Lactic Acid).  Polymers,  12  (10): (2407).  [PMID:33086626] [10.3390/polym12102407]

3. Zhijian Zhang, Xiaoning Wang, Yicen Xue, Hongjing Li, Wenbo Dong.  (2014)  Enhanced dechlorination of triclosan by hydrated electron reduction in aqueous solution.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2014.11.048]

4. Mengfan Wang, Shao-Lu Li, Youcai Chen, Qiyu Duan, Dandan Cheng, Genghao Gong, Yunxia Hu.  (2024)  Construction of ultrathin and microporous polyesteramide nanofilms for efficient organic solvent nanofiltration (OSN) using diacyl chloride.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2024.122605]

5. Yifu Chen, Siwu Wu, Baochun Guo, Binjie Jin, Haixin Yang, Jialiang Chen, Wenjie Wu, Liqun Zhang.  (2024)  Separating Charge Centers of Chain Segments in Dielectric Elastomer through Steric Hindrance Engineering.  MACROMOLECULAR RAPID COMMUNICATIONS,      [PMID:38771981] [10.1002/marc.202400295]