3-Acetylphenanthrene - technical grade, ≥90% , CAS No.2039-76-1

CAS: 2039-76-1 Cat. No.: A138450 Fórmula: C₁₆H₁₂O Peso molecular: 220.27 Número CE: 218-020-5

GRADE & PURITY Technical grade, ≥90%

Synonyms

EINECS 218-020-5 | DTXSID9049243 | 3-Acetylphenanthrene | AKOS004908916 | Ethanone, 1-(3-phenanthrenyl)- | SCHEMBL50671 | 4-Bromobutene | 00W4083OML | ACETOPROPYLACETATE | DTXCID1029099 | Methyl 3-phenanthryl ketone | 1-(3-Phenanthryl)ethanone # | FD10623

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EINECS 218-020-5 | DTXSID9049243 | 3-Acetylphenanthrene | AKOS004908916 | Ethanone, 1-(3-phenanthrenyl)- | SCHEMBL50671 | 4-Bromobutene | 00W4083OML | ACETOPROPYLACETATE | DTXCID1029099 | Methyl 3-phenanthryl ketone | 1-(3-Phenanthryl)ethanone # | FD10623

Especificações e pureza

technical grade, ≥90%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Grau técnico

Pureza

≥90%

Nomes e identificadores

• Pubchem Sid: 488184993
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184993
• Sorrisos canónicos: CC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1
• IUPAC Name: 1-phenanthren-3-ylethanone
• InChIKey: JKVNPRNAHRHQDD-UHFFFAOYSA-N
• INCHI: 1S/C16H12O/c1-11(17)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-10H,1H3
• SMILES isoméricas: CC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1
• WGK Alemanha: 3
• Peso molecular: 220.27
• Reaxy-Rn: 2329395
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2329395&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Naphthalenes Acetophenones Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrene - Naphthalene - Acetophenone - Aryl alkyl ketone - Aryl ketone - 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 phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 67-71°C
• Peso molecular: 220.260 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 220.089 Da
• Monoisotopic Mass: 220.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 296.000
• 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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 2039-76-1, the molecular formula is C16H12O, and the molecular weight is 220.27 g/mol. InChIKey JKVNPRNAHRHQDD-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does technical grade mean?

technical grade indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

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 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.