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

CAS: 574-19-6 Cat. No.: H156988 分子式: C₁₂H₁₀O₂ 分子量: 186.21 Beilstein Registry Number: 8(4)1173 EC番号: 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

概要

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

Specifications

同義語

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

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

パブケム・シド

488184145

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488184145

カノニカル・スマイル

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

異性体SMILES

CC(=O)C1=C(C=CC2=CC=CC=C21)O

WGKドイツ

3

分子量

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
    • 分類 Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 沸点（°C）: 130-132°/2mmHg
• 融点（°C）: 65-67 °C
• 分子量: 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

よくある質問

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.