2-Hydroxyacetophenone - ≥98% , CAS No.582-24-1

CAS: 582-24-1 Cat. No.: H102370 Peso molecular: 136.15 Beilstein Registry Number: 8(3)298 Número EC: 209-480-8

GRADE & PURITY ≥98%

Synonyms

H0347 | 2-Hydroxy-1-phenylethan-1-one | C07189 | MFCD00041829 | NSC171232 | NSC-171232 | 2-Hydroxyacetophenone, 98% | alpha-hydroxy acetophenone | Hydroxymethyl phenyl ketone | 2-hydroxyaceto-phenone | FT-0612517 | .alpha.-Hydroxyacetophenone | Phenacyl a

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

H0347 | 2-Hydroxy-1-phenylethan-1-one | C07189 | MFCD00041829 | NSC171232 | NSC-171232 | 2-Hydroxyacetophenone, 98% | alpha-hydroxy acetophenone | Hydroxymethyl phenyl ketone | 2-hydroxyaceto-phenone | FT-0612517 | .alpha.-Hydroxyacetophenone | Phenacyl a

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 508808525
• Sonrisas canónicas: C1=CC=C(C=C1)C(=O)CO
• IUPAC Name: 2-hydroxy-1-phenylethanone
• InChIKey: ZWVHTXAYIKBMEE-UHFFFAOYSA-N
• INCHI: 1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2
• Isómeros SMILES: C1=CC=C(C=C1)C(=O)CO
• WGK Alemania: 3
• Peso molecular: 136.15
• Beilstein: 8(3)298
• Reaxy-Rn: 507951
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507951&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzoyl derivatives Aryl alkyl ketones Alpha-hydroxy ketones Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Alpha-hydroxy ketone - Organic oxide - Hydrocarbon derivative - Primary alcohol - Alcohol - Aromatic homomonocyclic compound
• Descripción: 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: primary alcohol - monohydroxyacetophenone

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

Propiedades químicas y físicas

• Solubilidad: Soluble in water, ether, ethanol, chloroform.
• Sensibilidad: Air & Moisture Sensitive
• Punto de ebullición (°C): 126°C/12mmHg
• Punto de fusión (°C): 86-89°C
• Peso molecular: 136.150 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 136.052 Da
• Monoisotopic Mass: 136.052 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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

Referencias

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