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

CAS: 1517-22-2 Cat. No.: P472125 分子式: C₁₄D₁₀ 分子量: 188.29 EC番号: 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

概要

Description

May be used as an analytical standard

Specifications

同義語

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

仕様と純度

≥98 atom% D,≥98%

保管条件

Protected from light,Room temperature

入荷

Normal

純度

≥98 atom% D,≥98%

名前と識別子

• パブケム・シド: 504759019
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504759019
• カノニカル・スマイル: 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
• 異性体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ドイツ: 3
• 代替CAS番号: 85-01-8（unlabelled）
• 分子量: 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
    • 分類 Phenanthrenes and derivatives

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

化学的性質と物理的性質

• 感度: Light sensitive；Moisture sensitive
• 沸点（°C）: 340 °C (lit.)
• 融点（°C）: 98-100 °C (lit.)
• 分子量: 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

参考文献

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]