2-Triphenylenecarboxaldehyde - ≥98% , CAS No.96404-79-4

CAS: 96404-79-4 Cat. No.: T162065 Summenformel: C₁₉H₁₂O Molekulargewicht: 256.3 PubChem CID: 13375435

GRADE & PURITY ≥98%

Synonyms

MFCD29089374 | T3304 | NXDGVEYXRSKONY-UHFFFAOYSA-N | SY056370 | T73103 | SCHEMBL3774265 | AS-59480 | TRIPHENYLENE-2-CARBALDEHYDE | AKOS030524728 | WDA40479 | DTXSID20538653 | 2-triphenylenecarbaldehyde | 2-Triphenylenecarboxaldehyde

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

MFCD29089374 | T3304 | NXDGVEYXRSKONY-UHFFFAOYSA-N | SY056370 | T73103 | SCHEMBL3774265 | AS-59480 | TRIPHENYLENE-2-CARBALDEHYDE | AKOS030524728 | WDA40479 | DTXSID20538653 | 2-triphenylenecarbaldehyde | 2-Triphenylenecarboxaldehyde

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488198419

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198419

Kanonisches Lächeln

C1=CC=C2C(=C1)C3=C(C=C(C=C3)C=O)C4=CC=CC=C24

IUPAC Name

triphenylene-2-carbaldehyde

InChIKey

NXDGVEYXRSKONY-UHFFFAOYSA-N

INCHI

1S/C19H12O/c20-12-13-9-10-18-16-7-2-1-5-14(16)15-6-3-4-8-17(15)19(18)11-13/h1-12H

Isomere SMILES

C1=CC=C2C(=C1)C3=C(C=C(C=C3)C=O)C4=CC=CC=C24

PubChem CID

13375435

Molekulargewicht

256.3

Reaxy-Rn

4423491

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenanthrenes and derivatives
      • Subclass Triphenylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenanthrenes and derivatives
• Subclass: Triphenylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenylenes
• Alternative Parents: Naphthalenes Aryl-aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Triphenylene - Naphthalene - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as triphenylenes. These are compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene.
• 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

• Empfindlichkeit: Air Sensitive
• Schmelzpunkt (°C): 162 °C
• Molekulargewicht: 256.300 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 256.089 Da
• Monoisotopic Mass: 256.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 363.000
• 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 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 96404-79-4, the molecular formula is C19H12O, and the molecular weight is 256.3 g/mol. InChIKey NXDGVEYXRSKONY-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.