2'-Methoxy-1'-acetonaphthone - ≥98% , CAS No.5672-94-6

CAS: 5672-94-6 Cat. No.: M404662 Summenformel: C₁₃H₁₂O₂ Molekulargewicht: 200.24 EG-Nummer: 828-936-2

GRADE & PURITY ≥98%

Synonyms

MFCD11553477 | 1-(2-Methoxy-naphthalen-1-yl)ethanone | 1-(2-methoxynaphthalen-1-yl)ethanone | T72632 | EN300-1830002 | 2'-Methoxy-1'-acetonaphthone | 2-Methoxy-1-acetonaphthone | M2875 | 1-(2-methoxy-1-naphthyl)ethanone | Ethanone, 1-(2-methoxy-1-naphthal

Storage

Room temperature

Specifications

Synonyme

MFCD11553477 | 1-(2-Methoxy-naphthalen-1-yl)ethanone | 1-(2-methoxynaphthalen-1-yl)ethanone | T72632 | EN300-1830002 | 2'-Methoxy-1'-acetonaphthone | 2-Methoxy-1-acetonaphthone | M2875 | 1-(2-methoxy-1-naphthyl)ethanone | Ethanone, 1-(2-methoxy-1-naphthal

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488189881

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189881

Kanonisches Lächeln

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

IUPAC Name

1-(2-methoxynaphthalen-1-yl)ethanone

InChIKey

WFBBDKXOGOJOKY-UHFFFAOYSA-N

INCHI

1S/C13H12O2/c1-9(14)13-11-6-4-3-5-10(11)7-8-12(13)15-2/h3-8H,1-2H3

Isomere SMILES

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

Molekulargewicht

200.24

Reaxy-Rn

1874220

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1874220&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Acetophenones Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Acetophenone - Aryl alkyl ketone - Aryl ketone - Anisole - Alkyl aryl ether - Ketone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Toluene
• Siedepunkt (°C): 158 °C/2 mmHg
• Schmelzpunkt (°C): 58 °C
• Molekulargewicht: 200.230 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.084 Da
• Monoisotopic Mass: 200.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 237.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5672-94-6, the molecular formula is C13H12O2, and the molecular weight is 200.24 g/mol. InChIKey WFBBDKXOGOJOKY-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.