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

CAS: 582-24-1 Cat. No.: H102370 Formule: C₈H₈O₂ Poids moléculaire: 136.15 Beilstein Registry Number: 8(3)298 Numéro CE: 209-480-8

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508808525

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water, ether, ethanol, chloroform.
• Sensibilité: Air & Moisture Sensitive
• Point d'ébullition (°C): 126°C/12mmHg
• Point de fusion (°C): 86-89°C
• Poids moléculaire: 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