2'-Hydroxypropiophenone - ≥97%(GC) , CAS No.610-99-1

CAS: 610-99-1 Cat. No.: H156886 Fórmula: C₉H₁₀O₂ Peso molecular: 150.18 Beilstein Registry Number: 1860260 Número CE: 210-244-1

GRADE & PURITY ≥97%(GC)

Synonyms

UNII-ZGH9CA1BFI | Ethyl 2-Hydroxyphenyl Ketone | Z56969334 | EC 210-244-1 | NSC3785 | NSC-3785 | Propiophenone, o-hydroxy- | 2 inverted exclamation mark -Hydroxypropiophenone | MFCD00002220 | (3-Isothiocyanatopropoxy)benzene | 2'-Hydroxypropiophenone, 97%

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

UNII-ZGH9CA1BFI | Ethyl 2-Hydroxyphenyl Ketone | Z56969334 | EC 210-244-1 | NSC3785 | NSC-3785 | Propiophenone, o-hydroxy- | 2 inverted exclamation mark -Hydroxypropiophenone | MFCD00002220 | (3-Isothiocyanatopropoxy)benzene | 2'-Hydroxypropiophenone, 97%

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥97%(GC)

Nomes e identificadores

• Pubchem Sid: 488184229
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184229
• Sorrisos canónicos: CCC(=O)C1=CC=CC=C1O
• IUPAC Name: 1-(2-hydroxyphenyl)propan-1-one
• InChIKey: KDUWXMIHHIVXER-UHFFFAOYSA-N
• INCHI: 1S/C9H10O2/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,11H,2H2,1H3
• SMILES isoméricas: CCC(=O)C1=CC=CC=C1O
• WGK Alemanha: 3
• Peso molecular: 150.18
• Beilstein: 1860260
• Reaxy-Rn: 1860264
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1860264&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenylpropanes 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 - Phenylpropane - Aryl alkyl ketone - 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
• Descrição: 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

Alvos associados (humanos)

Homo sapiens (32628 Activities)

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K562 (73714 Activities)

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Alvos associados (não humanos)

Rattus norvegicus (775804 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: air & light sensitive
• Índice de refração: 1.55
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 115 °C/15 mmHg
• Ponto de fusão (°C): 15 °C
• Peso molecular: 150.170 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 142.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 610-99-1, the molecular formula is C9H10O2, and the molecular weight is 150.18 g/mol. InChIKey KDUWXMIHHIVXER-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.