(6FAPB) - ≥99.9% , CAS No.94525-05-0

CAS: 94525-05-0 Cat. No.: F1507205 分子式: C₂₀H₁₄F₆N₂O₂ 分子量: 428.33 EC番号: 807-961-2

GRADE & PURITY ≥99.9%

Storage

Room temperature

Specifications

仕様と純度

≥99.9%

保管条件

Room temperature

純度

≥99.9%

名前と識別子

• カノニカル・スマイル: NC1=CC(=C(OC2=CC=C(OC3=C(C=C(N)C=C3)C(F)(F)F)C=C2)C=C1)C(F)(F)F
• IUPAC Name: 4,4'-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)aniline]
• InChIKey: LACZRKUWKHQVKS-UHFFFAOYSA-N
• INCHI: InChI=1S/C20H14F6N2O2/c21-19(22,23)15-9-11(27)1-7-17(15)29-13-3-5-14(6-4-13)30-18-8-2-12(28)10-16(18)20(24,25)26/h1-10H,27-28H2
• 異性体SMILES: C1=CC(=CC=C1OC2=C(C=C(C=C2)N)C(F)(F)F)OC3=C(C=C(C=C3)N)C(F)(F)F
• 分子量: 428.33
• Reaxy-Rn: 10602564
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10602564&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Trifluoromethylbenzenes Phenoxy compounds Phenol ethers Aniline and substituted anilines Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Ether - Alkyl fluoride - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

• 融点（°C）: 132-136°C

参考文献

1. Hongfei He, Lu Liu, Hongliang Ding, Chuanshen Wang, Ping Yu, Chao Ding, Jixin Zhu, Wei Yang, Yuan Hu, Bin Yu.  (2024)  Biomimetic Nanostructured Polyimine Aerogels with Graded Porosity, Flame Resistance, Intrinsic Superhydrophobicity, and Closed-Loop Recovery.  ACS Nano,      [PMID:39681532] [10.1021/acsnano.4c12853]

2. Chunying Min, Yaxiang Su, Hang Yu, Hongyu Liang, Amna Siddique, Zhiwei Xu.  (2025)  Constructing the fluorine-containing structures for excellent tribological properties of degradable Poly(hexahydrotriazine)s.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.128691]

よくある質問

What is the purity of this product?

This product is supplied at ≥99.9% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 94525-05-0. InChIKey LACZRKUWKHQVKS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.