4-フェノキシベンズアルデヒド - ≥98%以上(GC) , CAS No.67-36-7

CAS: 67-36-7 Cat. No.: P160746 分子式: C₁₃H₁₀O₂ 分子量: 198.22 EC番号: 200-650-7 PubChem CID: 66139

GRADE & PURITY ≥98%(GC)

Synonyms

AR1919 | Benzaldehyde, p-phenoxy- | 4-(phenyloxy)benzaldehyde | Z104479070 | 4-08-00-00257 (Beilstein Handbook Reference) | W-104718 | 4-Phenoxybenzaldehyde | 4-Phenoxy-benzaldehyde | AI3-62192 | 4-phenyloxybenzaldehyde | Benzaldehyde, 4-phenoxy- | AMY879

Storage

Argon charged,Room temperature

Shipped In

ノーマル

概要

4-フェノキシベンズアルデヒドを合成に使用した：- スピロジケトピペラジン誘導体 - ベンゾオキサゾール類

Specifications

同義語

AR1919 | Benzaldehyde, p-phenoxy- | 4-(phenyloxy)benzaldehyde | Z104479070 | 4-08-00-00257 (Beilstein Handbook Reference) | W-104718 | 4-Phenoxybenzaldehyde | 4-Phenoxy-benzaldehyde | AI3-62192 | 4-phenyloxybenzaldehyde | Benzaldehyde, 4-phenoxy- | AMY879

仕様と純度

≥98%以上(GC)

保管条件

Argon charged,Room temperature

入荷

ノーマル

純度

≥98%(GC)

名前と識別子

パブケム・シド

488183741

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488183741

カノニカル・スマイル

C1=CC=C(C=C1)OC2=CC=C(C=C2)C=O

IUPAC Name

4-phenoxybenzaldehyde

InChIKey

QWLHJVDRPZNVBS-UHFFFAOYSA-N

INCHI

1S/C13H10O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H

異性体SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C=O

WGKドイツ

3

RTECS

CU7560000

PubChem CID

66139

分子量

198.22

Reaxy-Rn

1947841

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 Phenoxy compounds Phenol ethers Benzoyl derivatives Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Benzoyl - Benzaldehyde - Aryl-aldehyde - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - 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

関連ターゲット（人間）

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 感度: air sensitive
• 引火点（°F）: 230 °F
• 引火点（°C）: 110 °C
• 沸点（°C）: 185 °C/14 mmHg
• 融点（°C）: 25 °C
• 分子量: 198.220 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.068 Da
• Monoisotopic Mass: 198.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 189.000
• Isotope Atom Count: 0
• 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