5'-cloro-2'-hidroxi-4'-metilacetofenona - ≥95% , CAS No.28480-70-8

CAS: 28480-70-8 Cat. No.: C154070 Peso molecular: 184.62 Beilstein Registry Number: 8(2)113 Número EC: 624-873-8

GRADE & PURITY ≥95%

Synonyms

EN300-7408519 | Union carbide flexol 380 | A819471 | Ethanone,1-(5-chloro-2-hydroxy-4-methylphenyl)- | InChI=1/C9H9ClO2/c1-5-3-9(12)7(6(2)11)4-8(5)10/h3-4,12H,1-2H | J-017106 | STK819453 | 5'-Chloro-2'-hydroxy-4'-methylacetophenone | 5-Chloro-2-hydroxy-4-

Storage

Room temperature

Shipped In

Normal

Descripción general

Explicación：

la 5′-cloro-2′-hidroxi-4′-metilacetofenona (5-cloro-2-hidroxi-4-metilacetofenona) es una acetofenona aromática hidroxilada. Su yodación por yodocloruro de piridinio se ha reportado para proporcionar 5-cloro-2-hidroxi-3-yodo-4-metilacetofenona.

Aplicación：

la 5′-cloro-2′-hidroxi-4′-metilacetofenona (5-cloro-2-hidroxi-4-metilacetofenona) puede utilizarse en la preparación de las siguientes:

1、chalconas, necesarias para la síntesis de nuevos derivados de pirazolina。

2、5′-cloro-2′-hidroxi-4′-metil-3-(2''-tienil)acrilofenona

3、6-cloro-3-hidroxi-7-metil-2-(2-tienil)-4H-cromen-4-ona, un agente complejante utilizado para la determinación espectrofotométrica del vanadio(V)

Specifications

Sinónimos

EN300-7408519 | Union carbide flexol 380 | A819471 | Ethanone, 1-(5-chloro-2-hydroxy-4-methylphenyl)- | InChI=1/C9H9ClO2/c1-5-3-9(12)7(6(2)11)4-8(5)10/h3-4, 12H, 1-2H | J-017106 | STK819453 | 5'-Chloro-2'-hydroxy-4'-methylacetophenone | 5-Chloro-2-hydroxy-4-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488190600
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190600
• Sonrisas canónicas: CC1=CC(=C(C=C1Cl)C(=O)C)O
• IUPAC Name: 1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
• InChIKey: HDUSGGZSLVCDKY-UHFFFAOYSA-N
• INCHI: 1S/C9H9ClO2/c1-5-3-9(12)7(6(2)11)4-8(5)10/h3-4,12H,1-2H3
• Isómeros SMILES: CC1=CC(=C(C=C1Cl)C(=O)C)O
• WGK Alemania: 3
• Peso molecular: 184.62
• Beilstein: 8(2)113
• Reaxy-Rn: 1943380
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1943380&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 P-chlorophenols Meta cresols Benzoyl derivatives Aryl alkyl ketones Toluenes Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous acids Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Benzoyl - 4-halophenol - M-cresol - 4-chlorophenol - Aryl alkyl ketone - Toluene - Phenol - Halobenzene - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - 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 ebullición (°C): 137°C/15mmHg(lit.)
• Punto de fusión (°C): 69 °C
• Peso molecular: 184.620 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 184.029 Da
• Monoisotopic Mass: 184.029 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 181.000
• 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