2-Phenylphenol - ≥98% , CAS No.90-43-7

CAS: 90-43-7 Cat. No.: P107351 Fórmula: C₁₂H₁₀O Peso molecular: 170.21 Beilstein Registry Number: 606907 Número EC: 201-993-5

GRADE & PURITY ≥98%

Synonyms

2-Fenylfenol | 2-Phenylphenol, 99% | Hydroxybiphenyl | o-Diphenylol | Orthophenylphenol | ortho-Phenylphenol | 2-Biphenylol | Kiwi lustr 277 | o-Phenyl phenol | NCI-C50351 | Orthoxenol | Rotoline | 2-Hydroxybifenyl [Czech] | 2-Hydroxybiphenyl | Hydroxdiph

Storage

Room temperature

Shipped In

FedEx DG Service

Descripción general

A useful phenol for proteomics research.

Specifications

Sinónimos

2-Fenylfenol | 2-Phenylphenol, 99% | Hydroxybiphenyl | o-Diphenylol | Orthophenylphenol | ortho-Phenylphenol | 2-Biphenylol | Kiwi lustr 277 | o-Phenyl phenol | NCI-C50351 | Orthoxenol | Rotoline | 2-Hydroxybifenyl [Czech] | 2-Hydroxybiphenyl | Hydroxdiph

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488180244

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180244

Sonrisas canónicas

C1=CC=C(C=C1)C2=CC=CC=C2O

IUPAC Name

2-phenylphenol

InChIKey

LLEMOWNGBBNAJR-UHFFFAOYSA-N

INCHI

1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H

Isómeros SMILES

C1=CC=C(C=C1)C2=CC=CC=C2O

WGK Alemania

2

RTECS

DV5775000

Número ONU

3077

Grupo de embalaje

III

Peso molecular

170.21

Beilstein

606907

Reaxy-Rn

606907

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606907&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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: a small molecule

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

Objetivos asociados (humanos)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

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UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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U-251 (51189 Activities)

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U-87 MG (3946 Activities)

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HEK293 (82097 Activities)

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BCL2L1 Tchem Apoptosis regulator Bcl-X (2604 Activities)

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UGT2B17 Tbio UDP-glucuronosyltransferase 2B17 (197 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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UGT2B15 Tbio UDP-glucuronosyltransferase 2B15 (172 Activities)

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UGT1A1 Tchem UDP-glucuronosyltransferase 1-1 (448 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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UGT1A7 Tbio UDP-glucuronosyltransferase 1-7 (106 Activities)

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UGT1A8 Tbio UDP-glucuronosyltransferase 1-8 (233 Activities)

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UGT1A10 Tbio UDP-glucuronosyltransferase 1-10 (257 Activities)

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UGT2A1 UDP-glucuronosyltransferase 2A1 (59 Activities)

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UGT1A3 Tbio UDP-glucuronosyltransferase 1-3 (217 Activities)

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Objetivos asociados (no humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Aspergillus niger (16508 Activities)

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Bacillus subtilis (32866 Activities)

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PYGM Glycogen phosphorylase, muscle form (1331 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol, acetone, benzene,sodium hydroxide, chloroform, acetonitrile, toluene, hexane, ligroin, ethyl ether, pyridine, ethylene glycol, isopropanol, glycol ethers and polyglycols.
• Punto de inflamación (°F): 255.2 °F
• Punto de inflamación (°C): 124 °C
• Punto de ebullición (°C): 286 °C
• Punto de fusión (°C): 59°C
• Peso molecular: 170.210 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 170.073 Da
• Monoisotopic Mass: 170.073 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 149.000
• 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