5-Methoxy-2-tetralone - ≥97% , CAS No.32940-15-1

CAS: 32940-15-1 Cat. No.: M119735 Fórmula: C₁₁H₁₂O₂ Peso molecular: 176.22 Beilstein Registry Number: 8(3)828 Número EC: 608-804-9

GRADE & PURITY ≥97%

Synonyms

2-OXO-5-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALENE | AKOS015851963 | W-106867 | Methoxy-2-tetralone,5-;2(1H)-Naphthalenone, 3,4-dihydro-5-methoxy- | SCHEMBL268506 | M1543 | AC-8357 | UNII-V6V2G5MZ9D | 5-methoxy-2-tetralon | J-517690 | MFCD00064958 | A5888 | 5-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-OXO-5-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALENE | AKOS015851963 | W-106867 | Methoxy-2-tetralone,5-;2(1H)-Naphthalenone, 3,4-dihydro-5-methoxy- | SCHEMBL268506 | M1543 | AC-8357 | UNII-V6V2G5MZ9D | 5-methoxy-2-tetralon | J-517690 | MFCD00064958 | A5888 | 5-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488189103

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189103

Sonrisas canónicas

COC1=CC=CC2=C1CCC(=O)C2

IUPAC Name

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

InChIKey

MDAIAXRTLTVEOU-UHFFFAOYSA-N

INCHI

1S/C11H12O2/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4H,5-7H2,1H3

Isómeros SMILES

COC1=CC=CC2=C1CCC(=O)C2

WGK Alemania

3

Peso molecular

176.22

Beilstein

8(3)828

Reaxy-Rn

1451623

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1451623&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Anisoles Alkyl aryl ethers Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Anisole - Alkyl aryl ether - Cyclic ketone - Ketone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Punto de ebullición (°C): 165°C
• Punto de fusión (°C): 32-36°C
• Peso molecular: 176.210 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.084 Da
• Monoisotopic Mass: 176.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 200.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 32940-15-1, the molecular formula is C11H12O2, and the molecular weight is 176.22 g/mol. InChIKey MDAIAXRTLTVEOU-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.