Dibenzyl ether - ≥95% , CAS No.103-50-4

CAS: 103-50-4 Cat. No.: D107584 Fórmula: C₁₄H₁₄O Peso molecular: 198.26 Beilstein Registry Number: 1911156 Número CE: 203-118-2

GRAU & PUREZA ≥95%

Synonyms

Benzene,1'-[oxybis(methylene)]bis- | DTXCID005819 | [(Benzyloxy)methyl]benzene # | HSDB 6030 | SCHEMBL27380 | 1,1-Oxybis methylene, bis benzene | Benzyl ether | Dibenzylether [Czech] | [(Benzyloxy)methyl]benzene | Tox21_200903 | oxybis(methylene)dibenzene

Storage

Room temperature,Desiccated

Shipped In

Normal

Especificações

Sinónimos

Benzene,1'-[oxybis(methylene)]bis- | DTXCID005819 | [(Benzyloxy)methyl]benzene # | HSDB 6030 | SCHEMBL27380 | 1,1-Oxybis methylene, bis benzene | Benzyl ether | Dibenzylether [Czech] | [(Benzyloxy)methyl]benzene | Tox21_200903 | oxybis(methylene)dibenzene

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

488180516

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180516

Sorrisos canónicos

C1=CC=C(C=C1)COCC2=CC=CC=C2

IUPAC Name

phenylmethoxymethylbenzene

InChIKey

MHDVGSVTJDSBDK-UHFFFAOYSA-N

INCHI

1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2

SMILES isoméricas

C1=CC=C(C=C1)COCC2=CC=CC=C2

WGK Alemanha

2

RTECS

DQ6125000

Peso molecular

198.26

Beilstein

1911156

Reaxy-Rn

1911156

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1911156&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• External Descriptors: benzyl 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

Alvos associados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Not miscible or difficult to mix in water. Miscible with ethanol, ether, chloroform and acetone.
• Índice de refração: 1.56
• Ponto de inflamação (°F): 275 °F
• Ponto de inflamação (°C): 135 °C
• Ponto de ebulição (°C): 298 °C
• Ponto de fusão (°C): 4 °C
• Peso molecular: 198.260 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 198.104 Da
• Monoisotopic Mass: 198.104 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 137.000
• 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