1-Acenaphthenone - ≥98% , CAS No.2235-15-6

CAS: 2235-15-6 Cat. No.: A151499 Summenformel: C₁₂H₈O Molekulargewicht: 168.2 Beilstein Registry Number: 7(4)1354 EG-Nummer: 878-480-3

GRADE & PURITY ≥98%

Synonyms

DTXSID50176885 | 2H-acenaphthylen-1-one | FT-0600296 | NCGC00245706-01 | 1(2H)-Acenaphthylenone | AS-18863 | SR-01000630951-1 | HSDB 207 | SY053138 | Acenaphthenone | A852905 | Amchlor | 2-Acenaphthenone | NSC 18756 | WLN: L566 1A L CV DHJ | NSC22341 | NS

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

DTXSID50176885 | 2H-acenaphthylen-1-one | FT-0600296 | NCGC00245706-01 | 1(2H)-Acenaphthylenone | AS-18863 | SR-01000630951-1 | HSDB 207 | SY053138 | Acenaphthenone | A852905 | Amchlor | 2-Acenaphthenone | NSC 18756 | WLN: L566 1A L CV DHJ | NSC22341 | NS

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488185060
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185060
• Kanonisches Lächeln: C1C2=CC=CC3=C2C(=CC=C3)C1=O
• IUPAC Name: 2H-acenaphthylen-1-one
• InChIKey: JBXIOAKUBCTDES-UHFFFAOYSA-N
• INCHI: 1S/C12H8O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6H,7H2
• Isomere SMILES: C1C2=CC=CC3=C2C(=CC=C3)C1=O
• RTECS: AB1070100
• Molekulargewicht: 168.2
• Beilstein: 7(4)1354
• Reaxy-Rn: 972151
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=972151&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aryl alkyl ketone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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

HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

Discover Target: HPGD

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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Zugehörige Ziele (nicht menschlich)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 180°C/20mmHg(lit.)
• Schmelzpunkt (°C): 122 °C
• Molekulargewicht: 168.190 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 168.058 Da
• Monoisotopic Mass: 168.058 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 233.000
• 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

Referenzen

1. Qidong Yu, Yiding Li, Wenmin Zhang, Xueting Cui, Shiye Xie, Lan Zhang.  (2025)  Covalent organic framework coating with abundant hydrogen bonding sites for efficient enrichment and sensitive detection of oxygenated polycyclic aromatic hydrocarbons in tea.  FOOD CHEMISTRY,      [PMID:40184738] [10.1016/j.foodchem.2025.144181]