2'-Hydroxy-1'-acetonaphthone - ≥98%(GC) , CAS No.574-19-6

CAS: 574-19-6 Cat. No.: H156988 Fórmula: C₁₂H₁₀O₂ Peso molecular: 186.21 Beilstein Registry Number: 8(4)1173 Número CE: 209-369-4

GRADE & PURITY ≥98%(GC)

Synonyms

EINECS 209-369-4 | EN300-1854994 | SCHEMBL426582 | SY048831 | 1-(2-hydroxynaphthalen-1-yl)ethanone | AKOS003630502 | 1-Acetyl-2-hydroxynaphthlene | 2'-Hydroxy-1'-acetonaphthone | 2-Hydroxy-1-acetonaphthone | PS-11343 | 1-(2-Hydroxy-1-naphthalenyl)ethanone

Storage

Room temperature

Shipped In

Normal

Visão geral

2′-Hydroxy-1′-acetonaphthone was used in preparation of 1-(N-isopropyl-a-iminoethyl)-2-naphthol, Schiff base.

Specifications

Sinónimos

EINECS 209-369-4 | EN300-1854994 | SCHEMBL426582 | SY048831 | 1-(2-hydroxynaphthalen-1-yl)ethanone | AKOS003630502 | 1-Acetyl-2-hydroxynaphthlene | 2'-Hydroxy-1'-acetonaphthone | 2-Hydroxy-1-acetonaphthone | PS-11343 | 1-(2-Hydroxy-1-naphthalenyl)ethanone

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 488184145
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184145
• Sorrisos canónicos: CC(=O)C1=C(C=CC2=CC=CC=C21)O
• IUPAC Name: 1-(2-hydroxynaphthalen-1-yl)ethanone
• InChIKey: VUIOUIWZVKVFCI-UHFFFAOYSA-N
• INCHI: 1S/C12H10O2/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-7,14H,1H3
• SMILES isoméricas: CC(=O)C1=C(C=CC2=CC=CC=C21)O
• WGK Alemanha: 3
• Peso molecular: 186.21
• Beilstein: 8(4)1173
• Reaxy-Rn: 1869900
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1869900&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: Acetophenones Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - Acetophenone - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• 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

Propriedades químicas e físicas

• Ponto de ebulição (°C): 130-132°/2mmHg
• Ponto de fusão (°C): 65-67 °C
• Peso molecular: 186.210 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.068 Da
• Monoisotopic Mass: 186.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 224.000
• 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

Referências

1. Ying-Peng Zhang, Wei-Ya Niu, Yun-Shang Yang, Zu-Feng Zhang, Yi-Zhen Yuan, Hui-Chen Guo, Hong-Rui Zhang.  (2023)  A smart low-molecular-mass naphthalene-pyrazoline gelator: Gelation behavior and selective fluorescent detection Cu2+.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2023.122653]

Perguntas frequentes

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

This product is supplied at ≥98% 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.

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 574-19-6, the molecular formula is C12H10O2, and the molecular weight is 186.21 g/mol. InChIKey VUIOUIWZVKVFCI-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.