2′,3′-Dihydroxyacetophenone - ≥97% , CAS No.13494-10-5

CAS: 13494-10-5 Cat. No.: D347226 Fórmula: C₈H₈O₃ Peso molecular: 152.15

CALIDAD & PUREZA ≥97%

Synonyms

FEMA No. 3662 | UNII-65328I5OQP | AKOS006279187 | DTXSID40866647 | 2',3'-DIHYDROXYACETOPHENONE | 2',3'-Dihydroxy-acetophenone | 2,3-dihydroxyacetophenone | Dihydroxyacetophenone, 2,3- | 1-(2,3-dihydroxyphenyl)ethan-1-one | MFCD03424392 | AM20020417 | Etha

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

2',3'-Dihydroxyacetophenoneis a reagent used in the synthesis of antiproliferative agents, opioid receptor agonists, and anticoagulants.

Especificaciones

Sinónimos

FEMA No. 3662 | UNII-65328I5OQP | AKOS006279187 | DTXSID40866647 | 2',3'-DIHYDROXYACETOPHENONE | 2',3'-Dihydroxy-acetophenone | 2,3-dihydroxyacetophenone | Dihydroxyacetophenone, 2,3- | 1-(2,3-dihydroxyphenyl)ethan-1-one | MFCD03424392 | AM20020417 | Etha

Especificaciones y pureza

≥97%

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.

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

528754994

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528754994

Sonrisas canónicas

CC(=O)C1=C(C(=CC=C1)O)O

IUPAC Name

1-(2,3-dihydroxyphenyl)ethanone

InChIKey

HEJLFBLJYFSKCE-UHFFFAOYSA-N

INCHI

1S/C8H8O3/c1-5(9)6-3-2-4-7(10)8(6)11/h2-4,10-11H,1H3

Isómeros SMILES

CC(=O)C1=C(C(=CC=C1)O)O

Peso molecular

152.15

Reaxy-Rn

1909074

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909074&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: Acetophenones Catechols Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Catechol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organic oxide - Hydrocarbon derivative - 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: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 96-98° C
• Peso molecular: 152.150 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• 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