4-Phenylethynylphthalic Anhydride (4-PEPA) - ≥99.5% , CAS No.119389-05-8

CAS: 119389-05-8 Cat. No.: P1507238 分子式: C₁₆H₈O₃ 分子量: 248.24 EC番号: 601-604-2

GRADE & PURITY ≥99.5%

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

仕様と純度

≥99.5%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥99.5%

名前と識別子

カノニカル・スマイル

O=C1OC(=O)C2=C1C=CC(=C2)C#CC1=CC=CC=C1

IUPAC Name

5-(Phenylethynyl)-2-benzofuran-1,3-dione

InChIKey

UPGRRPUXXWPEMV-UHFFFAOYSA-N

INCHI

InChI=1S/C16H8O3/c17-15-13-9-8-12(10-14(13)16(18)19-15)7-6-11-4-2-1-3-5-11/h1-5,8-10H

異性体SMILES

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=O)OC3=O

分子量

248.24

Reaxy-Rn

9631246

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzofurans
      • Subclass Benzofuranones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzofurans
• Subclass: Benzofuranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalic anhydrides
• Alternative Parents: Isobenzofuranones Dicarboxylic acids and derivatives Benzene and substituted derivatives Carboxylic acid anhydrides Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalic anhydride - Phthalic_anhydride - Isobenzofuranone - Isocoumaran - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Carboxylic acid anhydride - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phthalic anhydrides. These are compounds containing a phthalic anhydride moiety (or a derivative thereof), which consists of a benzene fused to a furan-1,3-dione.
• 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: Hygroscopic
• 沸点（°C）: 466.9°C at 760 mmHg
• 融点（°C）: 149-154℃

よくある質問

What is the purity of this product?

This product is supplied at ≥99.5% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 119389-05-8. InChIKey UPGRRPUXXWPEMV-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.