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

CAS: 103-50-4 Cat. No.: D107584 분자식: C₁₄H₁₄O 분자량: 198.26 Beilstein Registry Number: 1911156 EC 번호: 203-118-2

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥95%

보관 조건

Room temperature,Desiccated

배송

Normal

순수함

≥95%

이름과 식별자

Pubchem Sid

488180516

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

WGK 독일

2

RTECS

DQ6125000

분자량

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
    • 분류 Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Not miscible or difficult to mix in water. Miscible with ethanol, ether, chloroform and acetone.
• 굴절률: 1.56
• 발화점(°F): 275 °F
• 발화점(°C): 135 °C
• 끓는점(°C): 298 °C
• 녹는점(°C): 4 °C
• 분자량: 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