Dihydroxydiphenyl Ether（DHDE） - ≥97%(GC) , CAS No.1965-09-9

CAS: 1965-09-9 Cat. No.: D119948 Fórmula: C₁₂H₁₀O₃ Peso molecular: 202.212 Beilstein Registry Number: 6(3)4408 Número CE: 217-809-1

GRAU & PUREZA ≥97%(GC)

Synonyms

p-(p-Hydroxyphenoxy)phenol | p-Hydroxyphenyl ether | p,p'-Oxybisphenol | Q27268509 | Bis(4-hydroxyphenyl) ether | BRN 1875320 | p,p'-Oxydiphenol | AS-17667 | 4,4'-Dihydroxydiphenyl oxide | EINECS 217-809-1 | Bis(p-hydroxyphenyl) ether | 4,4'-Oxydiphenol |

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

p-(p-Hydroxyphenoxy)phenol | p-Hydroxyphenyl ether | p,p'-Oxybisphenol | Q27268509 | Bis(4-hydroxyphenyl) ether | BRN 1875320 | p,p'-Oxydiphenol | AS-17667 | 4,4'-Dihydroxydiphenyl oxide | EINECS 217-809-1 | Bis(p-hydroxyphenyl) ether | 4,4'-Oxydiphenol |

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%(GC)

Nomes e identificadores

Pubchem Sid

488182203

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182203

Sorrisos canónicos

C1=CC(=CC=C1O)OC2=CC=C(C=C2)O

IUPAC Name

4-(4-hydroxyphenoxy)phenol

InChIKey

NZGQHKSLKRFZFL-UHFFFAOYSA-N

INCHI

1S/C12H10O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H

SMILES isoméricas

C1=CC(=CC=C1O)OC2=CC=C(C=C2)O

RTECS

SM6040000

Peso molecular

202.212

Beilstein

6(3)4408

Reaxy-Rn

1875320

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1875320&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: Diarylethers Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: 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: 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

Alvos associados (humanos)

FABP2 Tchem Fatty acid binding protein intestinal (28 Activities)

Discover Target: FABP2

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

MTNR1A Tclin Melatonin receptor 1A (2519 Activities)

Discover Target: MTNR1A

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

Alvos associados (não humanos)

Melatonin receptor 1B (19 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Ponto de fusão (°C): 168°C
• Peso molecular: 202.210 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.063 Da
• Monoisotopic Mass: 202.063 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 159.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1965-09-9, the molecular formula is C12H10O3, and the molecular weight is 202.212 g/mol. InChIKey NZGQHKSLKRFZFL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.