2,3-Anthracenedicarboxylic Anhydride - ≥93%(GC) , CAS No.6812-14-2

CAS: 6812-14-2 Cat. No.: A151651 Molecular Weight: 248.24 EC Number: 677-090-9

GRADE & PURITY ≥93%(GC)

Synonyms

AKOS015840849 | DTXSID10455128 | naphtho[2,3-f][2]benzofuran-1,3-dione | MFCD00438292 | T71216 | 2,3anthracenedicarboxylic anhydride | 2,3-Anthracenedicarboxylic Anhydride | 2,3-AnthracenedicarboxylicAnhydride | BS-44020 | SCHEMBL769280 | Anthra[2,3-c]fur

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS015840849 | DTXSID10455128 | naphtho[2, 3-f][2]benzofuran-1, 3-dione | MFCD00438292 | T71216 | 2, 3anthracenedicarboxylic anhydride | 2, 3-Anthracenedicarboxylic Anhydride | 2, 3-AnthracenedicarboxylicAnhydride | BS-44020 | SCHEMBL769280 | Anthra[2, 3-c]fur

Specifications & Purity

≥93%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥93%(GC)

Names and Identifiers

• Canonical Smiles: C1=CC=C2C=C3C=C4C(=CC3=CC2=C1)C(=O)OC4=O
• IUPAC Name: naphtho[2,3-f][2]benzofuran-1,3-dione
• InChIKey: AJXNLGUENUIIRW-UHFFFAOYSA-N
• INCHI: 1S/C16H8O3/c17-15-13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14(13)16(18)19-15/h1-8H
• Isomeric SMILES: C1=CC=C2C=C3C=C4C(=CC3=CC2=C1)C(=O)OC4=O
• Molecular Weight: 248.24
• Reaxy-Rn: 206364
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=206364&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Naphthofurans Phthalic anhydrides Isobenzofuranones Dicarboxylic acids and derivatives Carboxylic acid anhydrides Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Anthracene - Naphthofuran - Phthalic anhydride - Phthalic_anhydride - Benzofuranone - Isobenzofuranone - Isocoumaran - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Molecular Weight: 248.230 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 248.047 Da
• Monoisotopic Mass: 248.047 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 378.000
• 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

References

1. Xu Liu, Xiao Han, Yushuang Shang, Lijuan Wang, Jian Shen, Jiang Yuan.  (2023)  Hydrogen sulfide releasing poly(γ-glutamic acid) biocomposite hydrogel with monitoring, antioxidant, and antibacterial properties for diabetic wound healing.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:37774813] [10.1016/j.ijbiomac.2023.127053]

2. Wei Ji, Wenmei Ao, Mengqiu Sun, Chunlai Feng, Yun Wang.  (2020)  Separation and purification of horseradish peroxidase from horseradish roots using a novel integrated method.  NEW JOURNAL OF CHEMISTRY,  45  (4): (1959-1966).  [PMID:] [10.1039/D0NJ04614K]

3. Wei Zhang, Peipei Zhou, Wei Liu, Huili Wang, Xuedong Wang.  (2020)  Enhanced adsorption/extraction of five typical polycyclic aromatic hydrocarbons from meat samples using magnetic effervescent tablets composed of dicationic ionic liquids and NiFe2O4 nanoparticles.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2020.113682]

4. Jing Li, Qingxiang Zhou, Yongli Liu, Man Lei.  (2017)  Recyclable nanoscale zero-valent iron-based magnetic polydopamine coated nanomaterials for the adsorption and removal of phenanthrene and anthracene.  SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS,      [PMID:28179954] [10.1080/14686996.2016.1246941]