2-Methoxyacetophenone - ≥95% , CAS No.4079-52-1

CAS: 4079-52-1 Cat. No.: M467277 Formule: C₉H₁₀O₂ Poids moléculaire: 150.17 Numéro CE: 223-802-4

GRADE & PURITY ≥95%

Synonyms

A76745 | YRNDGUSDBCARGC-UHFFFAOYSA-N | AI3-07623 | 4-Hydroxy-17-methyltestosterone | methoxyacetophenone | Q27123417 | .omega.-Methoxyacetophenone | 2-methoxy acetophenone | Ethanone, 2-methoxy-1-phenyl- | 2-Methoxyacetophenone, 95% | alpha-Methoxyacetoph

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

A76745 | YRNDGUSDBCARGC-UHFFFAOYSA-N | AI3-07623 | 4-Hydroxy-17-methyltestosterone | methoxyacetophenone | Q27123417 | .omega.-Methoxyacetophenone | 2-methoxy acetophenone | Ethanone, 2-methoxy-1-phenyl- | 2-Methoxyacetophenone, 95% | alpha-Methoxyacetoph

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 528757445
• Sourires canoniques: COCC(=O)C1=CC=CC=C1
• IUPAC Name: 2-methoxy-1-phenylethanone
• InChIKey: YRNDGUSDBCARGC-UHFFFAOYSA-N
• INCHI: 1S/C9H10O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
• Isomères SMILES: COCC(=O)C1=CC=CC=C1
• WGK Allemagne: 3
• Poids moléculaire: 150.17
• Reaxy-Rn: 2043579
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043579&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzoyl derivatives Aryl alkyl ketones Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Ether - Dialkyl ether - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: aromatic ketone - alpha-oxyketone

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

Propriétés chimiques et physiques

• Indice de réfraction: 1.5365
• Point d'éclair (°F): 215.6 °F
• Point d'éclair (°C): 102 °C
• Point d'ébullition (°C): 122-123 °C
• Point de fusion (°C): 7-8 °C
• Poids moléculaire: 150.170 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 126.000
• 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. Bing Xia, Yuanji Gao, Baocheng Ji, Fengwei Ma, Lisheng Ding, Yan Zhou.  (2018)  Analysis of Compounds Dissolved in Nonpolar Solvents by Electrospray Ionization on Conductive Nanomaterials.  JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,      [PMID:29372550] [10.1007/s13361-017-1873-y]