4-Methoxybiphenyl - ≥99%(GC) , CAS No.613-37-6

CAS: 613-37-6 Cat. No.: M157893 分子式: C₁₃H₁₂O 分子量: 184.24 Beilstein Registry Number: 6(4)4600

グレード＆純度 ≥99%(GC)

Synonyms

4-Phenylanisole | AKOS005067590 | Biphenyl, 4-methoxy | 1-methoxy-4-phenylbenzene | 4-Methoxybiphenyl, 97% | NSC3793 | NSC-3793 | Anisole,p-phenyl- | D84255 | AC-18693 | MFCD00014897 | AI3-00228 | Anisole, p-phenyl- | UNII-036WEA2OUD | STK735568 | SCHEMBL

Storage

Room temperature

Shipped In

Normal

仕様

同義語

4-Phenylanisole | AKOS005067590 | Biphenyl, 4-methoxy | 1-methoxy-4-phenylbenzene | 4-Methoxybiphenyl, 97% | NSC3793 | NSC-3793 | Anisole,p-phenyl- | D84255 | AC-18693 | MFCD00014897 | AI3-00228 | Anisole, p-phenyl- | UNII-036WEA2OUD | STK735568 | SCHEMBL

仕様と純度

≥99%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥99%(GC)

名前と識別子

パブケム・シド

488181490

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488181490

カノニカル・スマイル

COC1=CC=C(C=C1)C2=CC=CC=C2

IUPAC Name

1-methoxy-4-phenylbenzene

InChIKey

RHDYQUZYHZWTCI-UHFFFAOYSA-N

INCHI

1S/C13H12O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3

異性体SMILES

COC1=CC=C(C=C1)C2=CC=CC=C2

RTECS

BZ8850000

分子量

184.24

Beilstein

6(4)4600

Reaxy-Rn

2043157

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043157&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

関連ターゲット（人間）

HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water; Soluble in Ethanol,Ether
• 沸点（°C）: 157°C/9.8mmHg
• 融点（°C）: 86-90°C
• 分子量: 184.230 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 184.089 Da
• Monoisotopic Mass: 184.089 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 153.000
• 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