1-(2-Chloro-6-hydroxyphenyl)ethanone - ≥98% , CAS No.55736-04-4

CAS: 55736-04-4 Cat. No.: C193924 Fórmula: C₈H₇ClO₂ Peso molecular: 170.59 Número EC: 877-126-5

GRADE & PURITY ≥98%

Synonyms

2'-Chloro-6'-hydroxyacetophenone | MFCD00218550 | AMY14029 | J-502969 | A870112 | Ethanone, 1-(2-chloro-6-hydroxyphenyl)- | 1-(2-Chloro-6-hydroxyphenyl)ethan-1-one | 1-(2-Chloro-6-hydroxyphenyl)ethanone | 1-(2-Chloro-6-hydroxy-phenyl)ethanone | 1-(2-Chlor

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2'-Chloro-6'-hydroxyacetophenone | MFCD00218550 | AMY14029 | J-502969 | A870112 | Ethanone, 1-(2-chloro-6-hydroxyphenyl)- | 1-(2-Chloro-6-hydroxyphenyl)ethan-1-one | 1-(2-Chloro-6-hydroxyphenyl)ethanone | 1-(2-Chloro-6-hydroxy-phenyl)ethanone | 1-(2-Chlor

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488190549

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190549

Sonrisas canónicas

CC(=O)C1=C(C=CC=C1Cl)O

IUPAC Name

1-(2-chloro-6-hydroxyphenyl)ethanone

InChIKey

RUSSVKYJPIADHS-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

CC(=O)C1=C(C=CC=C1Cl)O

Peso molecular

170.59

Reaxy-Rn

4974288

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4974288&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 M-chlorophenols Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous halides Vinylogous acids Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - 3-chlorophenol - 3-halophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Vinylogous halide - 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

• Peso molecular: 170.590 g/mol
• XLogP3: 2.400
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 55736-04-4, the molecular formula is C8H7ClO2, and the molecular weight is 170.59 g/mol. InChIKey RUSSVKYJPIADHS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.