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

CAS: 1718-52-1 Cat. No.: P115100 Formula: C₁₆D₁₀ Molecular Weight: 212.31 EC Number: 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

Overview

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

Specifications

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

Specifications & Purity

analytical standard

Storage

Protected from light,Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

• Pubchem Sid: 528775102
• Canonical Smiles: 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
• Isomeric 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 Germany: 3
• Alternate CAS: 129-00-0(unlabelled)
• Molecular Weight: 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
    • Class Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive；Light sensitive
• x_melt_point_char: 145-148°C
• Molecular Weight: 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