Phenanthrene-d₁₀ - ≥98 atom% D,≥98% , CAS No.1517-22-2

CAS: 1517-22-2 Cat. No.: P472125 Formule: C₁₄D₁₀ Poids moléculaire: 188.29 Numéro CE: 626-465-5

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

D99301 | Phenanthrene-1,2,3,4,5,6,7,8,9,10-d10 | 1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene | Decadeuterophenanthrene | J-008836 | DTXSID60893475 | Phenanthrene-d10, 98 atom % D, 98% (CP) | (?H??)phenanthrene | [2H10]Phenanthrene | HY-B1727S | Phenanth

Storage

Protected from light,Room temperature

Shipped In

Normal

Vue d’ensemble

Description

May be used as an analytical standard

Specifications

Synonymes

D99301 | Phenanthrene-1,2,3,4,5,6,7,8,9,10-d10 | 1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene | Decadeuterophenanthrene | J-008836 | DTXSID60893475 | Phenanthrene-d10, 98 atom % D, 98% (CP) | (?H??)phenanthrene | [2H10]Phenanthrene | HY-B1727S | Phenanth

Spécifications et pureté

≥98 atom% D,≥98%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥98 atom% D,≥98%

Noms et identifiants

• Pubchem Sid: 504759019
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759019
• Sourires canoniques: C1=CC=C2C(=C1)C=CC3=CC=CC=C32
• IUPAC Name: 1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene
• InChIKey: YNPNZTXNASCQKK-LHNTUAQVSA-N
• INCHI: 1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
• Isomères SMILES: [2H]C1=C(C(=C2C(=C1[2H])C(=C(C3=C(C(=C(C(=C32)[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]
• WGK Allemagne: 3
• CAS alternatif: 85-01-8（unlabelled）
• Poids moléculaire: 188.29
• Reaxy-Rn: 1905428
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1905428&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive；Moisture sensitive
• Point d'ébullition (°C): 340 °C (lit.)
• Point de fusion (°C): 98-100 °C (lit.)
• Poids moléculaire: 188.290 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 188.141 Da
• Monoisotopic Mass: 188.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 174.000
• 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

Références

1. Ben Zhang, Jianli Jia, Jiaqi Zhang, Yichi Ma, Bing Xiao, Haokun Yuan, Yuxin Han, Yequan Wang, Ravi Naidu.  (2026)  Mechanistic insights into microbial and metabolomic responses in PAHs-contaminated soil derived from a coal gasification site.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2026.147528]