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

CAS: 613-37-6 Cat. No.: M157893 Fórmula: C₁₃H₁₂O Peso molecular: 184.24 Beilstein Registry Number: 6(4)4600

GRAU & PUREZA ≥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

Especificações

Sinónimos

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

Especificações e pureza

≥99%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%(GC)

Nomes e identificadores

Pubchem Sid

488181490

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

RTECS

BZ8850000

Peso molecular

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
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

HT-29 (80576 Activities)

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

MCF7 (126967 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: Insoluble in water; Soluble in Ethanol,Ether
• Ponto de ebulição (°C): 157°C/9.8mmHg
• Ponto de fusão (°C): 86-90°C
• Peso molecular: 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