4,5,9,10-Tetrahydropyrene - ≥95%(GC) , CAS No.781-17-9

CAS: 781-17-9 Cat. No.: T137037 Peso molecular: 206.29 Beilstein Registry Number: 5(4)2341 PubChem CID: 69906

GRADE & PURITY ≥95%(GC)

Synonyms

4,5,9,10-Tetrahydropyrene (purified by sublimation) | YSZC360 | 4,5,9,10-Tetrahydropyrene # | Pyrene, 4,5,9,10-tetrahydro- | AKOS015840885 | T2655 | FT-0724346 | T2264 | A865094 | MFCD00267195 | InChI=1/C16H14/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

4, 5, 9, 10-Tetrahydropyrene (purified by sublimation) | YSZC360 | 4, 5, 9, 10-Tetrahydropyrene # | Pyrene, 4, 5, 9, 10-tetrahydro- | AKOS015840885 | T2655 | FT-0724346 | T2264 | A865094 | MFCD00267195 | InChI=1/C16H14/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 488184433
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184433
• Sonrisas canónicas: C1CC2=C3C(=CC=C2)CCC4=CC=CC1=C43
• IUPAC Name: 4,5,9,10-tetrahydropyrene
• InChIKey: XDFUNRTWHPWCKO-UHFFFAOYSA-N
• INCHI: 1S/C16H14/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-6H,7-10H2
• Isómeros SMILES: C1CC2=C3C(=CC=C2)CCC4=CC=CC1=C43
• PubChem CID: 69906
• Peso molecular: 206.29
• Beilstein: 5(4)2341
• Reaxy-Rn: 1911652

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: Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - 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: Air Sensitive
• Punto de ebullición (°C): 383 °C
• Punto de fusión (°C): 140 °C
• Peso molecular: 206.280 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 206.11 Da
• Monoisotopic Mass: 206.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 217.000
• 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