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

CAS: 2113-56-6 Cat. No.: M157896 Summenformel: C₁₃H₁₂O Molekulargewicht: 184.24 Beilstein Registry Number: 6(4)4598 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 488189090
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189090
• Kanonisches Lächeln: 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
• Isomere SMILES: COC1=CC=CC(=C1)C2=CC=CC=C2
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

HT-29 (80576 Activities)

Explore this target

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

MCF7 (126967 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.61
• Flammpunkt (°C): 114 °C
• Siedepunkt (°C): 140°C/5mmHg(lit.)
• Molekulargewicht: 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

Referenzen

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]

Häufig gestellte Fragen

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.