9,10-Anthracenedicarboxylic acid - ≥95% , CAS No.73016-08-7

CAS: 73016-08-7 Cat. No.: A304494 Molecular Weight: 266 EC Number: 690-559-2

GRADE & PURITY ≥95%

Synonyms

SCHEMBL70004 | AKOS028111771 | DTXSID20410925 | MFCD00229428 | E74848 | YSWG151 | A902540 | 9,10-Anthracenedicarboxylic acid | SY287980 | 9,10-Anthracenedicarboxylic acid, 95% | 9,10-Anthracenedicarboxylicacid | Anthracene-9,10-dicarboxylic Acid | BS-5263

Storage

Room temperature

Shipped In

Normal

Overview

9,10-Anthracenedicarboxylic acid (H2L) is an anthracene based dicarboxylic compound, which has a larger conjugating π-system that enables the development of fluorescent materials. It has interesting magnetic and luminescent properties. It can be used as a bridging carboxylic acid ligand with a steric bulk due to the presence of its anthracene ring.

H2L can be potentially used in the formation of highly porous nanotubular and ultramicroporous metal organic frameworks (MOFs) for greener applications like hydrogen storage, methane storage and gas separation.

Specifications

Synonyms

SCHEMBL70004 | AKOS028111771 | DTXSID20410925 | MFCD00229428 | E74848 | YSWG151 | A902540 | 9, 10-Anthracenedicarboxylic acid | SY287980 | 9, 10-Anthracenedicarboxylic acid, 95% | 9, 10-Anthracenedicarboxylicacid | Anthracene-9, 10-dicarboxylic Acid | BS-5263

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488195162
• Canonical Smiles: C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C(=O)O)C(=O)O
• IUPAC Name: anthracene-9,10-dicarboxylic acid
• InChIKey: FDFGHPKPHFUHBP-UHFFFAOYSA-N
• INCHI: 1S/C16H10O4/c17-15(18)13-9-5-1-2-6-10(9)14(16(19)20)12-8-4-3-7-11(12)13/h1-8H,(H,17,18)(H,19,20)
• Isomeric SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C(=O)O)C(=O)O
• Molecular Weight: 266
• Reaxy-Rn: 3338783
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3338783&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes
      • Subclass Anthracenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Anthracenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenecarboxylic acids
• Alternative Parents: Naphthalenecarboxylic acids P-phthalic acid and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene carboxylic acid - 1-naphthalenecarboxylic acid or derivatives - 1-naphthalenecarboxylic acid - Para_phthalic_acid - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system.
• 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

• Boil Point(°C): 595.1±23.0 °C
• Melt Point(°C): >300°C
• Molecular Weight: 266.250 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 266.058 Da
• Monoisotopic Mass: 266.058 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 343.000
• 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. Xiaolong Fu, Yu Gong, Jiamao Li, Jingwei Hou, Junyan Wang, Wenjie Ding, Chengjian Xiao, Hongwen Huang, Heyi Wang.  (2023)  Highly effective quantum sieving of hydrogen isotopes on flexible metal-organic frameworks with mobile ligands.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.126025]