Pyrene-d10 - analytical standard , CAS No.1718-52-1

CAS: 1718-52-1 Cat. No.: P115100 Fórmula: C₁₆D₁₀ Peso molecular: 212.31 Número EC: 623-338-6

GRADE & PURITY Analytical standard

Synonyms

D98353 | Pyrene D10 | 1,2,3,4,5,6,7,8,9,10-decadeuteriopyrene | Pyrene-d10, analytical standard | Pyrene D10 10 microg/mL in Cyclohexane | Pyrene D10 500 microg/mL in Acetone | Pyrene-1,2,3,4,5,6,7,8,9,10-d10 | Pyrene-d10, 98 atom % D | Pyrene D10 100 mic

Storage

Protected from light,Room temperature

Shipped In

Normal

Descripción general

Environmental Analysis, Synthetic Intermediates, Polycyclic Aromatic Hydrocarbons (PAHs), Priority Pollutants

Specifications

Sinónimos

D98353 | Pyrene D10 | 1,2,3,4,5,6,7,8,9,10-decadeuteriopyrene | Pyrene-d10, analytical standard | Pyrene D10 10 microg/mL in Cyclohexane | Pyrene D10 500 microg/mL in Acetone | Pyrene-1,2,3,4,5,6,7,8,9,10-d10 | Pyrene-d10, 98 atom % D | Pyrene D10 100 mic

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Grado

Patrón analítico

Nombres e identificadores

• Pubchem Sid: 528775102
• Sonrisas canónicas: C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2
• IUPAC Name: 1,2,3,4,5,6,7,8,9,10-decadeuteriopyrene
• InChIKey: BBEAQIROQSPTKN-LHNTUAQVSA-N
• INCHI: 1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
• Isómeros SMILES: [2H]C1=C(C2=C3C(=C1[2H])C(=C(C4=C(C(=C(C(=C43)C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]
• WGK Alemania: 3
• CAS alternativo: 129-00-0(unlabelled)
• Peso molecular: 212.31
• Reaxy-Rn: 1307225
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1307225&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Phenanthrenes and derivatives Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
• 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: Moisture sensitive；Light sensitive
• Punto de fusión (°C): 145-148°C
• Peso molecular: 212.310 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 212.141 Da
• Monoisotopic Mass: 212.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 217.000
• Isotope Atom Count: 10
• 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