2-Vinylanthraquinone - ≥98%(GC) , CAS No.13388-33-5

CAS: 13388-33-5 Cat. No.: V162955 分子式: C₁₆H₁₀O₂ 分子量: 234.25 PubChem CID: 22708978

GRADE & PURITY ≥98%(GC)

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

仕様と純度

≥98%(GC)

保管条件

Protected from light,Argon charged,Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

パブケム・シド

504769277

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504769277

カノニカル・スマイル

C=CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

IUPAC Name

2-ethenylanthracene-9,10-dione

InChIKey

IQOUOAIZDKROQT-UHFFFAOYSA-N

INCHI

1S/C16H10O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h2-9H,1H2

異性体SMILES

C=CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

PubChem CID

22708978

分子量

234.25

Reaxy-Rn

1960081

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Styrenes Aryl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthraquinone - 9,10-anthraquinone - Aryl ketone - Styrene - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• 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

• 溶解度: Soluble in toluene
• 感度: light & air sensitive
• 融点（°C）: 177°C(lit.)
• 分子量: 234.250 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 234.068 Da
• Monoisotopic Mass: 234.068 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 385.000
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, 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 13388-33-5, the molecular formula is C16H10O2, and the molecular weight is 234.25 g/mol. InChIKey IQOUOAIZDKROQT-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.