5-Hydroxy-1-tetralone - ≥99% , CAS No.28315-93-7

CAS: 28315-93-7 Cat. No.: H102207 Fórmula: C₁₀H₁₀O₂ Peso molecular: 162.19 Beilstein Registry Number: 2437410 Número CE: 248-958-0

GRADE & PURITY ≥99%

Synonyms

CAS-28315-93-7 | SY032015 | 8605DD71BS | 5-HYDROXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE | SCHEMBL388480 | SDCCGMLS-0066118.P001 | 5-Hydroy-1-tetraione | 5-HYDROXY-.ALPHA.-TETRALONE | W-106669 | 1,2,3,4-Tetrahydro-1-oxo-5-hydroxynaphthalene | AM888 | FT-0620

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

CAS-28315-93-7 | SY032015 | 8605DD71BS | 5-HYDROXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE | SCHEMBL388480 | SDCCGMLS-0066118.P001 | 5-Hydroy-1-tetraione | 5-HYDROXY-.ALPHA.-TETRALONE | W-106669 | 1,2,3,4-Tetrahydro-1-oxo-5-hydroxynaphthalene | AM888 | FT-0620

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488187621

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187621

Sorrisos canónicos

C1CC2=C(C=CC=C2O)C(=O)C1

IUPAC Name

5-hydroxy-3,4-dihydro-2H-naphthalen-1-one

InChIKey

YPPZCRZRQHFRBH-UHFFFAOYSA-N

INCHI

1S/C10H10O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,11H,2,4,6H2

SMILES isoméricas

C1CC2=C(C=CC=C2O)C(=O)C1

WGK Alemanha

3

Peso molecular

162.19

Beilstein

2437410

Reaxy-Rn

2437410

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2437410&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - 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 tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in alcohol, ether, benzene and acetic acid.
• Ponto de fusão (°C): 206-209°C
• Peso molecular: 162.180 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.068 Da
• Monoisotopic Mass: 162.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 188.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). 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 28315-93-7, the molecular formula is C10H10O2, and the molecular weight is 162.19 g/mol. InChIKey YPPZCRZRQHFRBH-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.