3’-Chloro-4’-hydroxyacetophenone - ≥95% , CAS No.2892-29-7

CAS: 2892-29-7 Cat. No.: C134912 Fórmula: C₈H₇ClO₂ Peso molecular: 170.59 Número EC: 620-213-8

CALIDAD & PUREZA ≥95%

Synonyms

DTXSID00359984 | 1-(3-Chloro-4-hydroxyphenyl)ethan-1-one | 1-(4-Hydroxy-3-chlorophenyl)ethanone | Ethanone,1-(3-chloro-4-hydroxyphenyl)- | Z57905816 | 1-(3-chloro-4-hydroxylphenyl)ethanone | 3'-Chloro-4'-hydroxyacetophenone | 3-chloro-4-hydroxyacetophenon

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

DTXSID00359984 | 1-(3-Chloro-4-hydroxyphenyl)ethan-1-one | 1-(4-Hydroxy-3-chlorophenyl)ethanone | Ethanone,1-(3-chloro-4-hydroxyphenyl)- | Z57905816 | 1-(3-chloro-4-hydroxylphenyl)ethanone | 3'-Chloro-4'-hydroxyacetophenone | 3-chloro-4-hydroxyacetophenon

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

504760371

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760371

Sonrisas canónicas

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

IUPAC Name

1-(3-chloro-4-hydroxyphenyl)ethanone

InChIKey

GMTSPBYBJKGPJF-UHFFFAOYSA-N

INCHI

1S/C8H7ClO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3

Isómeros SMILES

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

WGK Alemania

3

Peso molecular

170.59

Reaxy-Rn

2043261

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043261&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 O-chlorophenols Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Benzoyl - Aryl alkyl ketone - 2-halophenol - 2-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Phenol - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - 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

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 103 °C
• Peso molecular: 170.590 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.013 Da
• Monoisotopic Mass: 170.013 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• 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