Criseno-d12 - ≥98 átomo% D , CAS No.1719-03-5

CAS: 1719-03-5 Cat. No.: C132176 Fórmula: C₁₈D₁₂ Peso molecular: 240.36 Número CE: 625-640-3

GRADE & PURITY ≥98 atom% D

Synonyms

D98103 | (?H??)chrysene | Chrysene D12 10 microg/mL in Acetonitrile | DTXSID00893474 | Chrysene D12 10 microg/mL in Cyclohexane | Chrysene-D12 | Chrysene D12 | 1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriochrysene | Chrysene, perdeutero- | Chrysene D12 1000 m

Storage

Argon charged,Room temperature

Shipped In

Normal

Visão geral

aplicação：

Pode ser usado como um padrão analítico

Specifications

Sinónimos

D98103 | (?H??)chrysene | Chrysene D12 10 microg/mL in Acetonitrile | DTXSID00893474 | Chrysene D12 10 microg/mL in Cyclohexane | Chrysene-D12 | Chrysene D12 | 1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriochrysene | Chrysene, perdeutero- | Chrysene D12 1000 m

Especificações e pureza

≥98 átomo% D

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98 atom% D

Nomes e identificadores

• Pubchem Sid: 504762410
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762410
• Sorrisos canónicos: C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
• IUPAC Name: 1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriochrysene
• InChIKey: WDECIBYCCFPHNR-AQZSQYOVSA-N
• INCHI: 1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
• SMILES isoméricas: [2H]C1=C(C(=C2C(=C1[2H])C(=C(C3=C2C(=C(C4=C(C(=C(C(=C43)[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]
• WGK Alemanha: 3
• Peso molecular: 240.36
• Reaxy-Rn: 1909297
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909297&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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: 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive.
• Ponto de ebulição (°C): 448 °C (lit.)
• Ponto de fusão (°C): 252-254 °C (lit.)
• Peso molecular: 240.400 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 240.169 Da
• Monoisotopic Mass: 240.169 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 264.000
• Isotope Atom Count: 12
• 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

Referências

1. Xue Ma, Mengmeng Fu, Kai Hu, Li Gao, Chenchen Song, Shusheng Zhang, Renyong Zhao, Wenjie Zhao.  (2025)  Sustainable One-Pot Synthesis of Dual-Mechanism Magnetic HCPs for Classified Extraction of Trace PAHs and Quaternary Ammonium Pesticides in Environmental Waters.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:40967004] [10.1016/j.jhazmat.2025.139820]