3-Perylenecarboxaldehyde - ≥95% , CAS No.35438-63-2

CAS: 35438-63-2 Cat. No.: P160766 Fórmula: C₂₁H₁₂O Peso molecular: 280.33 Número EC: 806-977-7 PubChem CID: 3698916

GRADE & PURITY ≥95%

Synonyms

Perylene-3-carbaldehyde | 3-Formylperylene

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Perylene-3-carbaldehyde | 3-Formylperylene

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504762671
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762671
• Sonrisas canónicas: C1=CC2=C3C(=C1)C4=C5C(=C(C=C4)C=O)C=CC=C5C3=CC=C2
• IUPAC Name: perylene-3-carbaldehyde
• InChIKey: IQZOCQOQNWTNOW-UHFFFAOYSA-N
• INCHI: 1S/C21H12O/c22-12-14-10-11-19-17-8-2-5-13-4-1-7-16(20(13)17)18-9-3-6-15(14)21(18)19/h1-12H
• Isómeros SMILES: C1=CC2=C3C(=C1)C4=C5C(=C(C=C4)C=O)C=CC=C5C3=CC=C2
• PubChem CID: 3698916
• Peso molecular: 280.33
• Reaxy-Rn: 2280814

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Anthracenes Aryl-aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrene - Anthracene - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homopolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive,Air Sensitive
• Punto de fusión (°C): 234.0-238.0℃
• Peso molecular: 280.300 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 280.089 Da
• Monoisotopic Mass: 280.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 443.000
• 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 ≥95% 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 35438-63-2, the molecular formula is C21H12O, and the molecular weight is 280.33 g/mol. InChIKey IQZOCQOQNWTNOW-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.