Diphenyl ether - ≥99%(GC) , CAS No.101-84-8

CAS: 101-84-8 Cat. No.: D110644 Formula: C₁₂H₁₀O Peso molecolare: 170.21 Beilstein Registry Number: 1364620 Numero EC: 202-981-2

GRADE & PURITY ≥99%(GC)

Synonyms

1,1'-Oxybisbenzene, 9CI | 1-Phenoxybenzene | AI3-00749 | CCRIS 5912 | Diphenylaether | EINECS 202-981-2 | HSDB 934 | Ph2O | Diphenyl oxide | NCGC00091303-01 | NSC 19311 | Diphenyl ether, Selectophore(TM), >=99.9% | Oxydibenzene | PROPOFOL IMPURITY I [EP I

Storage

Room temperature,Desiccated

Shipped In

Normal

Panoramica

The diphenyl derivatives, having potency for inhibiting InhA (an essential enoyl acyl carrier protein reductase involved in mycolic acid biosynthesis), were studied.

Diphenyl ether may be used to synthesize dibenzofuran via intramolecular cyclization in the presence of palladium acetate.

Specifications

Sinonimi

1,1'-Oxybisbenzene, 9CI | 1-Phenoxybenzene | AI3-00749 | CCRIS 5912 | Diphenylaether | EINECS 202-981-2 | HSDB 934 | Ph2O | Diphenyl oxide | NCGC00091303-01 | NSC 19311 | Diphenyl ether, Selectophore(TM), >=99.9% | Oxydibenzene | PROPOFOL IMPURITY I [EP I

Specifiche e purezza

≥99%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥99%(GC)

Nomi e identificatori

Pubchem Sid

508812307

Sorrisi canonici

C1=CC=C(C=C1)OC2=CC=CC=C2

IUPAC Name

phenoxybenzene

InChIKey

USIUVYZYUHIAEV-UHFFFAOYSA-N

INCHI

1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H

Isomeri SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2

WGK Germania

2

RTECS

KN8970000

Numero UN

3077(international)

Gruppo di imballaggio

III

Peso molecolare

170.21

Beilstein

1364620

Reaxy-Rn

1364620

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1364620&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Polyphenyl ethers Diarylethers Phenoxy compounds Phenol ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Polyphenyl ether - Diaryl ether - Phenoxy compound - Phenol ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• External Descriptors: aromatic ether

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

Obiettivi associati (umani)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LTA4H Tchem Leukotriene A4 hydrolase (1442 Activities)

Discover Target: LTA4H

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in alcohol, chloroform, ethyl acetate, benzene, diethyl ether and glacial acetic acid. Insoluble in water.
• Punto di congelamento (°C): 27 °C
• Indice di rifrazione: 1.579
• Punto di infiammabilità (°F): 239℉
• Punto di infiammabilità (°C): 115℃
• Punto di ebollizione (°C): 258°C
• Punto di fusione (°C): 27°C
• Peso molecolare: 170.210 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 170.073 Da
• Monoisotopic Mass: 170.073 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 116.000
• 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