2′,5′-Dihydroxypropiophenone - ≥97% , CAS No.938-46-5

CAS: 938-46-5 Cat. No.: D338191 Fórmula: C₉H₁₀O₃ Peso molecular: 166.18 Número EC: 213-343-8

GRADE & PURITY ≥97%

Synonyms

2',5'-Dihydroxypropiophenone | 2,5-Dihydroxypropiophenone | NSC 87567 | SCHEMBL1129352 | EN300-6504460 | Propiophenone,5'-dihydroxy- | AKOS002392970 | 1-(2,5-Dihydroxyphenyl)-1-propanone # | BRN 1938824 | 1-(2,5-Dihydroxyphenyl)-1-propanone | 1-(2,5-dihyd

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2',5'-Dihydroxypropiophenone | 2,5-Dihydroxypropiophenone | NSC 87567 | SCHEMBL1129352 | EN300-6504460 | Propiophenone,5'-dihydroxy- | AKOS002392970 | 1-(2,5-Dihydroxyphenyl)-1-propanone # | BRN 1938824 | 1-(2,5-Dihydroxyphenyl)-1-propanone | 1-(2,5-dihyd

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488184520

Sonrisas canónicas

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

IUPAC Name

1-(2,5-dihydroxyphenyl)propan-1-one

InChIKey

CFQYIIXIHXUPQT-UHFFFAOYSA-N

INCHI

1S/C9H10O3/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,10,12H,2H2,1H3

Isómeros SMILES

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

Peso molecular

166.18

Reaxy-Rn

1938824

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1938824&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: Phenylpropanes Hydroquinones Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylpropane - Aryl alkyl ketone - Hydroquinone - Benzoyl - 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): 95-100℃
• Peso molecular: 166.170 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.063 Da
• Monoisotopic Mass: 166.063 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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 ≥97% 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 938-46-5, the molecular formula is C9H10O3, and the molecular weight is 166.18 g/mol. InChIKey CFQYIIXIHXUPQT-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.