4-Methoxybenzophenone - ≥98%(GC) , CAS No.611-94-9

CAS: 611-94-9 Cat. No.: M136425 分子式: C₁₄H₁₂O₂ 分子量: 212.25 Beilstein Registry Number: 8159 EC番号: 210-285-5

GRADE & PURITY ≥98%(GC)

Synonyms

(4-Methoxyphenyl)(phenyl)methanone # | 4-Methoxybenzophenone | SMR000304595 | 4-Methoxybenzophenone, 97% | DTXSID00209995 | BBL023540 | Q27280450 | SR-01000397672-1 | M0357 | p-methoxy benzophenone | MFCD00008403 | W-105184 | STL286831 | AF-753/00317053 |

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

(4-Methoxyphenyl)(phenyl)methanone # | 4-Methoxybenzophenone | SMR000304595 | 4-Methoxybenzophenone, 97% | DTXSID00209995 | BBL023540 | Q27280450 | SR-01000397672-1 | M0357 | p-methoxy benzophenone | MFCD00008403 | W-105184 | STL286831 | AF-753/00317053 |

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 488184237
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488184237
• カノニカル・スマイル: COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
• IUPAC Name: (4-methoxyphenyl)-phenylmethanone
• InChIKey: SWFHGTMLYIBPPA-UHFFFAOYSA-N
• INCHI: 1S/C14H12O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10H,1H3
• 異性体SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
• WGKドイツ: 2
• RTECS: PC4962500
• 分子量: 212.25
• Beilstein: 8159
• Reaxy-Rn: 1104713
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1104713&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Phenoxy compound - Anisole - Methoxybenzene - Aryl ketone - Phenol ether - Benzoyl - Alkyl aryl ether - Ketone - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

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Discover Target: EHMT2

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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作用メカニズム

化学的性質と物理的性質

• 沸点（°C）: 193 °C/3 mmHg
• 融点（°C）: 60 °C
• 分子量: 212.240 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.084 Da
• Monoisotopic Mass: 212.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 223.000
• 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

よくある質問

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 611-94-9, the molecular formula is C14H12O2, and the molecular weight is 212.25 g/mol. InChIKey SWFHGTMLYIBPPA-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.