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

CAS: 613-37-6 Cat. No.: M157893 Formule: C₁₃H₁₂O Poids moléculaire: 184.24 Beilstein Registry Number: 6(4)4600

GRADE & PURITY ≥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

Specifications

Synonymes

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

Spécifications et pureté

≥99%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%(GC)

Noms et identifiants

• Pubchem Sid: 488181490
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181490
• Sourires canoniques: 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
• Isomères SMILES: COC1=CC=C(C=C1)C2=CC=CC=C2
• RTECS: BZ8850000
• Poids moléculaire: 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
• Description: 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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water; Soluble in Ethanol,Ether
• Point d'ébullition (°C): 157°C/9.8mmHg
• Point de fusion (°C): 86-90°C
• Poids moléculaire: 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

Références

1. Chencheng Xu, Jiangmin Jiang, Shuang Li, Zhan Wang, Gaoyu Zhou, Yaxin Chen, Xiangkai Kong, Quanchao Zhuang, Zhicheng Ju.  (2025)  Molecular tailoring engineering enables stable and efficient chemical pre-lithiation for graphite anodes in lithium-ion batteries.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2025.237971]