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

CAS: 574-19-6 Cat. No.: H156988 Peso molecular: 186.21 Beilstein Registry Number: 8(4)1173 Número EC: 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

Descripción general

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

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488184145
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184145
• Sonrisas canónicas: 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
• Isómeros SMILES: CC(=O)C1=C(C=CC2=CC=CC=C21)O
• WGK Alemania: 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
    • Clase Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 130-132°/2mmHg
• Punto de fusión (°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

Referencias

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]