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

CAS: 103-50-4 Cat. No.: D107584 分子式: C₁₄H₁₄O 分子量: 198.26 Beilstein Registry Number: 1911156 EC番号: 203-118-2

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥95%

保管条件

Room temperature,Desiccated

入荷

Normal

純度

≥95%

名前と識別子

パブケム・シド

488180516

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

2

RTECS

DQ6125000

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Not miscible or difficult to mix in water. Miscible with ethanol, ether, chloroform and acetone.
• 屈折率: 1.56
• 引火点（°F）: 275 °F
• 引火点（°C）: 135 °C
• 沸点（°C）: 298 °C
• 融点（°C）: 4 °C
• 分子量: 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