3-Methoxybiphenyl - ≥96% , CAS No.2113-56-6

CAS: 2113-56-6 Cat. No.: M157896 Formula: C₁₃H₁₂O Peso molecolare: 184.24 Beilstein Registry Number: 6(4)4598 Numero EC: 666-104-9

GRADE & PURITY ≥96%

Synonyms

AKOS015962970 | Anisole, m-phenyl- | SCHEMBL12015208 | 3-methoxy biphenyl | 3-Methoxy-1,1'-biphenyl | MFCD00027514 | CAA11356 | SCHEMBL458391 | AS-58483 | 1-methoxy-3-phenylbenzene | 3-Methoxy-1,1'-biphenyl # | 3-phenylanisole | DTXSID60292969 | NSC86603

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AKOS015962970 | Anisole, m-phenyl- | SCHEMBL12015208 | 3-methoxy biphenyl | 3-Methoxy-1,1'-biphenyl | MFCD00027514 | CAA11356 | SCHEMBL458391 | AS-58483 | 1-methoxy-3-phenylbenzene | 3-Methoxy-1,1'-biphenyl # | 3-phenylanisole | DTXSID60292969 | NSC86603

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥96%

Nomi e identificatori

• Pubchem Sid: 488189090
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189090
• Sorrisi canonici: COC1=CC=CC(=C1)C2=CC=CC=C2
• IUPAC Name: 1-methoxy-3-phenylbenzene
• InChIKey: KQMIWCAOEFUBQK-UHFFFAOYSA-N
• INCHI: 1S/C13H12O/c1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11/h2-10H,1H3
• Isomeri SMILES: COC1=CC=CC(=C1)C2=CC=CC=C2
• Peso molecolare: 184.24
• Beilstein: 6(4)4598
• Reaxy-Rn: 2207905
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207905&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
• Descrizione: 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

Obiettivi associati (umani)

HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.61
• Punto di infiammabilità (°C): 114 °C
• Punto di ebollizione (°C): 140°C/5mmHg(lit.)
• Peso molecolare: 184.230 g/mol
• XLogP3: 3.600
• 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: 161.000
• 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

Riferimenti

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]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2113-56-6, the molecular formula is C13H12O, and the molecular weight is 184.24 g/mol. InChIKey KQMIWCAOEFUBQK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.