2-Hydroxyacetophenone - ≥98% , CAS No.582-24-1

CAS: 582-24-1 Cat. No.: H102370 Formula: C₈H₈O₂ Peso molecolare: 136.15 Beilstein Registry Number: 8(3)298 Numero EC: 209-480-8

QUALITÀ & PUREZZA ≥98%

Synonyms

H0347 | 2-Hydroxy-1-phenylethan-1-one | C07189 | MFCD00041829 | NSC171232 | NSC-171232 | 2-Hydroxyacetophenone, 98% | alpha-hydroxy acetophenone | Hydroxymethyl phenyl ketone | 2-hydroxyaceto-phenone | FT-0612517 | .alpha.-Hydroxyacetophenone | Phenacyl a

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifiche

Sinonimi

H0347 | 2-Hydroxy-1-phenylethan-1-one | C07189 | MFCD00041829 | NSC171232 | NSC-171232 | 2-Hydroxyacetophenone, 98% | alpha-hydroxy acetophenone | Hydroxymethyl phenyl ketone | 2-hydroxyaceto-phenone | FT-0612517 | .alpha.-Hydroxyacetophenone | Phenacyl a

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508808525

Sorrisi canonici

C1=CC=C(C=C1)C(=O)CO

IUPAC Name

2-hydroxy-1-phenylethanone

InChIKey

ZWVHTXAYIKBMEE-UHFFFAOYSA-N

INCHI

1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2

Isomeri SMILES

C1=CC=C(C=C1)C(=O)CO

WGK Germania

3

Peso molecolare

136.15

Beilstein

8(3)298

Reaxy-Rn

507951

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507951&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: Benzoyl derivatives Aryl alkyl ketones Alpha-hydroxy ketones Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Alpha-hydroxy ketone - Organic oxide - Hydrocarbon derivative - Primary alcohol - Alcohol - Aromatic homomonocyclic compound
• Descrizione: 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: primary alcohol - monohydroxyacetophenone

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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water, ether, ethanol, chloroform.
• Sensibilità: Air & Moisture Sensitive
• Punto di ebollizione (°C): 126°C/12mmHg
• Punto di fusione (°C): 86-89°C
• Peso molecolare: 136.150 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 136.052 Da
• Monoisotopic Mass: 136.052 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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