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

CAS: 73016-08-7 Cat. No.: A304494 Peso molecular: 266 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488195162
• Sonrisas canónicas: 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)
• Isómeros SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C(=O)O)C(=O)O
• Peso molecular: 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
    • Clase Anthracenes
      • Subclass Anthracenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 595.1±23.0 °C
• Punto de fusión (°C): >300°C
• Peso molecular: 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

Referencias

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]