Indeno(1,2,3-cd)pyrene solution - analytical standard, Moligand™, 4.25ug/mL in methanol , CAS No.193-39-5

CAS: 193-39-5 Cat. No.: I301711 Peso molecular: 276.33 Número EC: 205-893-2

GRADE & PURITY Analytical standard, Moligand™, 4.25ug/mL in methanol

Synonyms

InP | hexacyclo[16.3.1.0^{2,7.0^{8,21.0^{11,20.0^{14,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene | DTXSID8024153 | AKOS015902991 | Indeno[1,2,3-cd]pyrene; 1,10-(1,2-Phenylene)pyrene; 1,10-(o-Phenylene)pyrene; Indeno[1,2,3-c,d]pyrene; In

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

InP | hexacyclo[16.3.1.0^{2, 7.0^{8, 21.0^{11, 20.0^{14, 19]docosa-1(22), 2, 4, 6, 8(21), 9, 11(20), 12, 14(19), 15, 17-undecaene | DTXSID8024153 | AKOS015902991 | Indeno[1, 2, 3-cd]pyrene; 1, 10-(1, 2-Phenylene)pyrene; 1, 10-(o-Phenylene)pyrene; Indeno[1, 2, 3-c, d]pyrene; In

Especificaciones y pureza

analytical standard, Moligand™, 4.25ug/mL in methanol

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Grado

Analytical standard, Moligand™

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C3=C4C2=CC5=CC=CC6=C5C4=C(C=C6)C=C3
• IUPAC Name: hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene
• InChIKey: SXQBHARYMNFBPS-UHFFFAOYSA-N
• INCHI: 1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H
• Isómeros SMILES: C1=CC=C2C(=C1)C3=C4C2=CC5=CC=CC6=C5C4=C(C=C6)C=C3
• Número ONU: 3077
• Grupo de embalaje: III
• Peso molecular: 276.33
• Reaxy-Rn: 1879312
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1879312&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: pyrenes

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.
• Punto de fusión (°C): 162.5～164℃
• Peso molecular: 276.300 g/mol
• XLogP3: 7.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 276.094 Da
• Monoisotopic Mass: 276.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 453.000
• 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

Referencias

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