2-Methoxybiphenyl - ≥98%(GC) , CAS No.86-26-0

CAS: 86-26-0 Cat. No.: M157898 Fórmula: C₁₃H₁₂O Peso molecular: 184.24 Beilstein Registry Number: 6(4)4580 Número CE: 201-659-9

GRADE & PURITY ≥98%(GC)

Synonyms

2-METHOXY BIPHENYL | 2-Hydroxybiphenyl methyl ether | 2-Phenylanisole | MFCD00008367 | AI3-00236 | Anisole, o-phenyl- | FT-0612830 | InChI=1/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3 | 1,1'-Biphenyl, methoxy- | 2-Methoxy-biphenylate | EIN

Storage

Room temperature

Shipped In

Normal

Visão geral

application：
2-Methoxybiphenyl is used as chemical and organic intermediates.

Specifications

Sinónimos

2-METHOXY BIPHENYL | 2-Hydroxybiphenyl methyl ether | 2-Phenylanisole | MFCD00008367 | AI3-00236 | Anisole, o-phenyl- | FT-0612830 | InChI=1/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3 | 1,1'-Biphenyl, methoxy- | 2-Methoxy-biphenylate | EIN

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 488180170
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180170
• Sorrisos canónicos: COC1=CC=CC=C1C2=CC=CC=C2
• IUPAC Name: 1-methoxy-2-phenylbenzene
• InChIKey: NLWCWEGVNJVLAX-UHFFFAOYSA-N
• INCHI: 1S/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3
• SMILES isoméricas: COC1=CC=CC=C1C2=CC=CC=C2
• RTECS: BZ8835000
• Peso molecular: 184.24
• Beilstein: 6(4)4580
• Reaxy-Rn: 2045749
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045749&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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MCF7 (126967 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in toluene. Insoluble in water.
• Índice de refração: 1.61
• Ponto de inflamação (°F): 230°F
• Ponto de inflamação (°C): >110℃
• Ponto de ebulição (°C): 274°C(lit.)
• Ponto de fusão (°C): 28 °C
• Peso molecular: 184.230 g/mol
• XLogP3: 3.200
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 86-26-0, the molecular formula is C13H12O, and the molecular weight is 184.24 g/mol. InChIKey NLWCWEGVNJVLAX-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.