Picene - ≥99.5% , CAS No.213-46-7

CAS: 213-46-7 Cat. No.: P160221 Peso molecular: 278.35 Número EC: 205-918-7 PubChem CID: 9162

GRADE & PURITY ≥99.5%

Synonyms

NSC406006 | NSC-406006 | 3,4-Benzchrysene | Benzo[a]chrysene | P1893 | Benzo(a)chrysene | P2207 | Picene (purified by sublimation), >/=99.5% | Dibenzo(a,i)phenanthrene | 1,7,8-Dibenzphenanthrene | DTXSID8073895 | C19500 | WLN: L F6 E6 B666J | 1,8-Dibenzop

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

NSC406006 | NSC-406006 | 3, 4-Benzchrysene | Benzo[a]chrysene | P1893 | Benzo(a)chrysene | P2207 | Picene (purified by sublimation), >/=99.5% | Dibenzo(a, i)phenanthrene | 1, 7, 8-Dibenzphenanthrene | DTXSID8073895 | C19500 | WLN: L F6 E6 B666J | 1, 8-Dibenzop

Especificaciones y pureza

≥99.5%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99.5%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC5=CC=CC=C54
• IUPAC Name: picene
• InChIKey: GBROPGWFBFCKAG-UHFFFAOYSA-N
• INCHI: 1S/C22H14/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21/h1-14H
• Isómeros SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC5=CC=CC=C54
• PubChem CID: 9162
• Peso molecular: 278.35

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenanthrenes and derivatives
• Subclass: Chrysenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chrysenes
• Alternative Parents: Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Chrysene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chrysenes. These are compounds containing the polyaromatic chrysene moiety, which consists of a benzene ring fused to a phenanthrene ring system to form Benzo[a]phenanthrene.
• External Descriptors: ortho-fused polycyclic arene

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;light sensitive;heat sensitive
• Punto de ebullición (°C): 525°C(lit.)
• Punto de fusión (°C): 366°C(lit.)
• Peso molecular: 278.300 g/mol
• XLogP3: 7.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 278.11 Da
• Monoisotopic Mass: 278.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 361.000
• 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