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

CAS: 1718-52-1 Cat. No.: P115100 分子式: C₁₆D₁₀ 分子量: 212.31 EC番号: 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

概要

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

Specifications

同義語

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

仕様と純度

analytical standard

保管条件

Protected from light,Room temperature

入荷

Normal

等級

分析用標準物質

名前と識別子

• パブケム・シド: 528775102
• カノニカル・スマイル: 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
• 異性体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ドイツ: 3
• 代替CAS番号: 129-00-0(unlabelled)
• 分子量: 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
    • 分類 Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Moisture sensitive；Light sensitive
• 融点（°C）: 145-148°C
• 分子量: 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