2'-Hydroxyacetophenone - 10mM in DMSO , CAS No.118-93-4

CAS: 118-93-4 Cat. No.: H420837 Summenformel: C₈H₈O₂ Molekulargewicht: 136.15 Beilstein Registry Number: 386123 EG-Nummer: 204-288-0

GRADE & PURITY 10mM in DMSO

Synonyms

2-Acetylphenol | ACETOPHENONE,2-HYDROXY | CAS-118-93-4 | MFCD00002219 | 2,4-Cyclohexadien-1-one, 6-(1-hydroxyethylidene)- (9CI) | FT-0652315 | InChI=1/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H | Ethanone, 1-(2-hydroxyphenyl)- | NSC9263 | NSC-9263 | PARAC

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Application

2тАЩ-Hydroxyacetophenone is a phenolic compound used in the synthesis of potential anti-myobacterial and anticancer agents.

Specifications

Synonyme

2-Acetylphenol | ACETOPHENONE,2-HYDROXY | CAS-118-93-4 | MFCD00002219 | 2,4-Cyclohexadien-1-one, 6-(1-hydroxyethylidene)- (9CI) | FT-0652315 | InChI=1/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H | Ethanone, 1-(2-hydroxyphenyl)- | NSC9263 | NSC-9263 | PARAC

Spezifikationen & Reinheit

10mM in DMSO

Storage

Protected from light,Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Pubchem Sid

528755021

Kanonisches Lächeln

CC(=O)C1=CC=CC=C1O

IUPAC Name

1-(2-hydroxyphenyl)ethanone

InChIKey

JECYUBVRTQDVAT-UHFFFAOYSA-N

INCHI

1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3

Isomere SMILES

CC(=O)C1=CC=CC=C1O

WGK Deutschland

3

RTECS

AM8575000

Molekulargewicht

136.15

Beilstein

386123

Reaxy-Rn

386123

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386123&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones 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 - Acetophenone - 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive.
• Brechungsindex: 1.558
• Flammpunkt (°F): 222.8 °F
• Flammpunkt (°C): 106 °C
• Siedepunkt (°C): 213°C
• Schmelzpunkt (°C): 3-6°C
• Molekulargewicht: 136.150 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• 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: 131.000
• 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